N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C15H26N2O2S2 — CID 102751897

IUPACN-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)16-9-14-15(12(3)10-20-14)21(18,19)17-13-7-5-4-6-8-13/h10-11,13,16-17H,4-9H2,1-3H3
InChIKeyZOCVHZLJQXAFDA-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.17
Rot. Bonds6

About N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 102751897) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID102751897
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)16-9-14-15(12(3)10-20-14)21(18,19)17-13-7-5-4-6-8-13/h10-11,13,16-17H,4-9H2,1-3H3
InChIKeyZOCVHZLJQXAFDA-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
N-(1-cyclopropylethyl)-N,4-dimethyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751637
4-methyl-2-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081622
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-4-methylthiophene-3-sulfonamide
CID 106068928
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 102751502
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
CID 102754612
2-[(cyclopropylamino)methyl]-N-(2-cyclopropylpropyl)-4-methylthiophene-3-sulfonamide
CID 102754819

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 102751897) is N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is ZOCVHZLJQXAFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)16-9-14-15(12(3)10-20-14)21(18,19)17-13-7-5-4-6-8-13/h10-11,13,16-17H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102751897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).