5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide

C14H25N3O2S2 — CID 106076875

IUPAC5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11-13(8-12(9-15)20-11)21(18,19)16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10,15H2,1-3H3
InChIKeySODWPFZNEWNEQB-UHFFFAOYSA-N
MW331.51 g/mol
LogP1.67
Rot. Bonds6

About 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide

5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 106076875) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
PubChem CID106076875
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C14H25N3O2S2/c1-11-13(8-12(9-15)20-11)21(18,19)16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10,15H2,1-3H3
InChIKeySODWPFZNEWNEQB-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 83107893
4-(aminomethyl)-2-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 106087070
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
2-amino-5-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83107309
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylpropyl)thiophene-3-sulfonamide
CID 106015870
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide (CID 106076875) is 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is SODWPFZNEWNEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11-13(8-12(9-15)20-11)21(18,19)16-10-14(17(2)3)6-4-5-7-14/h8,16H,4-7,9-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide?
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106076875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).