N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106027355

IUPACN-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-15(7-9-20-14)21(18,19)17-13-6-4-5-12(2)10-13/h7,9,12-13,16-17H,3-6,8,10-11H2,1-2H3
InChIKeyJCJHLBUKBIWQTO-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.10
Rot. Bonds7

About N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106027355) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106027355
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC1CCCC(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-15(7-9-20-14)21(18,19)17-13-6-4-5-12(2)10-13/h7,9,12-13,16-17H,3-6,8,10-11H2,1-2H3
InChIKeyJCJHLBUKBIWQTO-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2-(ethylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027406
2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
N-(1,2-dimethylpiperidin-4-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074074
N-[[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]propan-1-amine
CID 83220194
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093026

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106027355) is N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NC1CCCC(C)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is JCJHLBUKBIWQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-8-16-11-14-15(7-9-20-14)21(18,19)17-13-6-4-5-12(2)10-13/h7,9,12-13,16-17H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106027355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).