5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide

C13H22N2O2S2 — CID 106089898

IUPAC5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCC(C)C2)cs1
InChIInChI=1S/C13H22N2O2S2/c1-10-3-4-11(5-10)7-15-19(16,17)13-6-12(8-14-2)18-9-13/h6,9-11,14-15H,3-5,7-8H2,1-2H3
InChIKeyOYSZITMGNTWNQC-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.18
Rot. Bonds6

About 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide

5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide (PubChem CID 106089898) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
PubChem CID106089898
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC2CCC(C)C2)cs1
InChIInChI=1S/C13H22N2O2S2/c1-10-3-4-11(5-10)7-15-19(16,17)13-6-12(8-14-2)18-9-13/h6,9-11,14-15H,3-5,7-8H2,1-2H3
InChIKeyOYSZITMGNTWNQC-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
1-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]pyrrole-3-sulfonamide
CID 106089956
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
2-methyl-5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]furan-3-sulfonamide
CID 106089872
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067360
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067705
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
5-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106018213

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide (CID 106089898) is 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC2CCC(C)C2)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
The InChIKey is OYSZITMGNTWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-10-3-4-11(5-10)7-15-19(16,17)13-6-12(8-14-2)18-9-13/h6,9-11,14-15H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106089898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).