5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

C14H24N2O2S3 — CID 106091389

IUPAC5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1
InChIInChI=1S/C14H24N2O2S3/c1-15-9-8-12-6-7-14(20-12)21(17,18)16-11-4-3-5-13(10-11)19-2/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyNQUXGGUNTFIMPN-UHFFFAOYSA-N
MW348.56 g/mol
LogP2.46
Rot. Bonds7

About 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106091389) has the molecular formula C14H24N2O2S3 and a molecular weight of 348.56 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106091389
Molecular FormulaC14H24N2O2S3
Molecular Weight348.56 g/mol
Exact Mass348.10
IUPAC Name5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1
InChIInChI=1S/C14H24N2O2S3/c1-15-9-8-12-6-7-14(20-12)21(17,18)16-11-4-3-5-13(10-11)19-2/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3
InChIKeyNQUXGGUNTFIMPN-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(ethylaminomethyl)-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091338
5-[2-(methylamino)ethyl]-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091476
5-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106025620
N-(2-ethylcyclopropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 114109937
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-(methylaminomethyl)-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551883
5-[2-(ethylamino)ethyl]-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065228
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
5-[2-(methylamino)ethyl]-N-[(2-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 106018540
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106091389) is 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CNCCc1ccc(S(=O)(=O)NC2CCCC(SC)C2)s1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is NQUXGGUNTFIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S3/c1-15-9-8-12-6-7-14(20-12)21(17,18)16-11-4-3-5-13(10-11)19-2/h6-7,11,13,15-16H,3-5,8-10H2,1-2H3.
What are the key properties of 5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
5-[2-(methylamino)ethyl]-N-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 348.56 g/mol, XLogP of 2.46, 7 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-(3-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106091389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).