N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide

C20H27N3O2S2 — CID 24762774

IUPACN-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C20H27N3O2S2/c1-15-5-8-19(23-11-9-22(2)10-12-23)18-14-16(6-7-17(15)18)21-27(24,25)20-4-3-13-26-20/h3-5,8,13,16,21H,6-7,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyRWKHJJDPSPKPFL-MRXNPFEDSA-N
MW405.59 g/mol
LogP2.64
Rot. Bonds4

About N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide

N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide (PubChem CID 24762774) has the molecular formula C20H27N3O2S2 and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
PubChem CID24762774
Molecular FormulaC20H27N3O2S2
Molecular Weight405.59 g/mol
Exact Mass405.15
IUPAC NameN-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
SMILESCc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C20H27N3O2S2/c1-15-5-8-19(23-11-9-22(2)10-12-23)18-14-16(6-7-17(15)18)21-27(24,25)20-4-3-13-26-20/h3-5,8,13,16,21H,6-7,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyRWKHJJDPSPKPFL-MRXNPFEDSA-N
XLogP2.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762854
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 68959952
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 96539853
1-methyl-4-(7-methyl-1,3-dihydro-2-benzothiophen-4-yl)piperazine
CID 155458897
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide (CID 24762774) is N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide is Cc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NS(=O)(=O)c1cccs1)C2.
What is the InChIKey of N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide?
The InChIKey is RWKHJJDPSPKPFL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2S2/c1-15-5-8-19(23-11-9-22(2)10-12-23)18-14-16(6-7-17(15)18)21-27(24,25)20-4-3-13-26-20/h3-5,8,13,16,21H,6-7,9-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide?
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide has a molecular weight of 405.59 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 24762774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).