5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

C14H24N2O2S3 — CID 106090568

IUPAC5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCC2(SC)CCCC2)s1
InChIInChI=1S/C14H24N2O2S3/c1-15-10-7-12-5-6-13(20-12)21(17,18)16-11-14(19-2)8-3-4-9-14/h5-6,15-16H,3-4,7-11H2,1-2H3
InChIKeyYPJQSMSXJNZECY-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.46
Rot. Bonds8

About 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (PubChem CID 106090568) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
PubChem CID106090568
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCC2(SC)CCCC2)s1
InChIInChI=1S/C14H24N2O2S3/c1-15-10-7-12-5-6-13(20-12)21(17,18)16-11-14(19-2)8-3-4-9-14/h5-6,15-16H,3-4,7-11H2,1-2H3
InChIKeyYPJQSMSXJNZECY-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114136202
4-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106090703
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
5-[2-(methylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064914
5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
5-(hydroxymethyl)-4-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106000739
5-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106001847
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091389
5-[2-(methylamino)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-sulfonamide
CID 106056402
5-(aminomethyl)-2-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106092428
4-(aminomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090565

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide (CID 106090568) is 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NCC2(SC)CCCC2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
The InChIKey is YPJQSMSXJNZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-15-10-7-12-5-6-13(20-12)21(17,18)16-11-14(19-2)8-3-4-9-14/h5-6,15-16H,3-4,7-11H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106090568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).