N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide

C24H36N4O2S2 — CID 71460037

IUPACN-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide
SMILESCCCN(CCC1CCC(NS(=O)(=O)c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C24H36N4O2S2/c1-2-15-28(20-12-13-22-23(17-20)31-24(25)26-22)16-14-18-8-10-19(11-9-18)27-32(29,30)21-6-4-3-5-7-21/h3-7,18-20,27H,2,8-17H2,1H3,(H2,25,26)/t18?,19?,20-/m0/s1
InChIKeyJHONPDCCVQMWRL-MHJFOBGBSA-N
MW476.71 g/mol
LogP4.22
Rot. Bonds9

About N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide

N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide (PubChem CID 71460037) has the molecular formula C24H36N4O2S2 and a molecular weight of 476.71 g/mol. Its IUPAC name is N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide
PubChem CID71460037
Molecular FormulaC24H36N4O2S2
Molecular Weight476.71 g/mol
Exact Mass476.23
IUPAC NameN-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide
SMILESCCCN(CCC1CCC(NS(=O)(=O)c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C24H36N4O2S2/c1-2-15-28(20-12-13-22-23(17-20)31-24(25)26-22)16-14-18-8-10-19(11-9-18)27-32(29,30)21-6-4-3-5-7-21/h3-7,18-20,27H,2,8-17H2,1H3,(H2,25,26)/t18?,19?,20-/m0/s1
InChIKeyJHONPDCCVQMWRL-MHJFOBGBSA-N
XLogP4.22
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide with MolForge

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Related Compounds

N-(4-{2-[((S)-2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-propyl-amino]-ethyl}-cyclohexyl)-3-phenyl-acrylamide
CID 25099152
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-2-chlorobenzenesulfonamide
CID 71449212
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-chlorobenzenesulfonamide
CID 71454603
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-fluorobenzenesulfonamide
CID 71460038
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-methylbenzenesulfonamide
CID 71456327
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]naphthalene-2-sulfonamide
CID 46186708
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-phenylbenzenesulfonamide
CID 46186710
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]naphthalene-1-sulfonamide
CID 71456325
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-3-chlorobenzenesulfonamide
CID 71456326
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-tert-butylbenzenesulfonamide
CID 71451015
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]-4-propan-2-ylbenzenesulfonamide
CID 71461743
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3646055

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide (CID 71460037) is N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide is CCCN(CCC1CCC(NS(=O)(=O)c2ccccc2)CC1)[C@H]1CCc2nc(N)sc2C1.
What is the InChIKey of N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide?
The InChIKey is JHONPDCCVQMWRL-MHJFOBGBSA-N. The full InChI is InChI=1S/C24H36N4O2S2/c1-2-15-28(20-12-13-22-23(17-20)31-24(25)26-22)16-14-18-8-10-19(11-9-18)27-32(29,30)21-6-4-3-5-7-21/h3-7,18-20,27H,2,8-17H2,1H3,(H2,25,26)/t18?,19?,20-/m0/s1.
What are the key properties of N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide?
N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide has a molecular weight of 476.71 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 71460037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).