N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide

C15H26N2O2S2 — CID 79116728

IUPACN,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-4-11-16-13-6-8-14(9-7-13)17(3)21(18,19)15-10-5-12(2)20-15/h5,10,13-14,16H,4,6-9,11H2,1-3H3
InChIKeyQFMHTFRSZIMOSJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.99
Rot. Bonds6

About N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide

N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide (PubChem CID 79116728) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
PubChem CID79116728
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide
SMILESCCCNC1CCC(N(C)S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C15H26N2O2S2/c1-4-11-16-13-6-8-14(9-7-13)17(3)21(18,19)15-10-5-12(2)20-15/h5,10,13-14,16H,4,6-9,11H2,1-3H3
InChIKeyQFMHTFRSZIMOSJ-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide?
The IUPAC name of N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide (CID 79116728) is N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide is CCCNC1CCC(N(C)S(=O)(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide?
The InChIKey is QFMHTFRSZIMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-11-16-13-6-8-14(9-7-13)17(3)21(18,19)15-10-5-12(2)20-15/h5,10,13-14,16H,4,6-9,11H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide?
N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[4-(propylamino)cyclohexyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79116728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).