4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

C12H20N2O2S3 — CID 106090565

IUPAC4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CN)cs2)CCCC1
InChIInChI=1S/C12H20N2O2S3/c1-17-12(4-2-3-5-12)9-14-19(15,16)11-6-10(7-13)8-18-11/h6,8,14H,2-5,7,9,13H2,1H3
InChIKeyNTIKWIIPPPSQAM-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.16
Rot. Bonds6

About 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 106090565) has the molecular formula C12H20N2O2S3 and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID106090565
Molecular FormulaC12H20N2O2S3
Molecular Weight320.50 g/mol
Exact Mass320.07
IUPAC Name4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCSC1(CNS(=O)(=O)c2cc(CN)cs2)CCCC1
InChIInChI=1S/C12H20N2O2S3/c1-17-12(4-2-3-5-12)9-14-19(15,16)11-6-10(7-13)8-18-11/h6,8,14H,2-5,7,9,13H2,1H3
InChIKeyNTIKWIIPPPSQAM-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
2-(aminomethyl)-4-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090624
4-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090585
5-(aminomethyl)-3-fluoro-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090613
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclopentyl)methyl]furan-3-sulfonamide
CID 106090522
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(aminomethyl)-2,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090652
5-(hydroxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106000847
4-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
5-(methylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090614
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (CID 106090565) is 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is CSC1(CNS(=O)(=O)c2cc(CN)cs2)CCCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is NTIKWIIPPPSQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S3/c1-17-12(4-2-3-5-12)9-14-19(15,16)11-6-10(7-13)8-18-11/h6,8,14H,2-5,7,9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide has a molecular weight of 320.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106090565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).