4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide

C13H22N2O2S3 — CID 106091673

IUPAC4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C13H22N2O2S3/c1-9-8-19-12(7-14-2)13(9)20(16,17)15-10-5-4-6-11(10)18-3/h8,10-11,14-15H,4-7H2,1-3H3
InChIKeyDOJZVOZFWWAHHY-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.34
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (PubChem CID 106091673) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
PubChem CID106091673
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC Name4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C13H22N2O2S3/c1-9-8-19-12(7-14-2)13(9)20(16,17)15-10-5-4-6-11(10)18-3/h8,10-11,14-15H,4-7H2,1-3H3
InChIKeyDOJZVOZFWWAHHY-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 106091700
N-(2,3-dimethylcyclohexyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106060252
N-(2-ethylsulfanylcyclopentyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106002341
4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
N-(2,2-dimethylcyclopentyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070986
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
N-(cyclopentylmethyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106026679
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide (CID 106091673) is 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NC1CCCC1SC.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
The InChIKey is DOJZVOZFWWAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-9-8-19-12(7-14-2)13(9)20(16,17)15-10-5-4-6-11(10)18-3/h8,10-11,14-15H,4-7H2,1-3H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106091673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).