4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

C13H22N2O2S3 — CID 106090814

IUPAC4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCC(SC)CC2)c1
InChIInChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-3-5-12(18-2)6-4-11/h7,9,11-12,14-15H,3-6,8H2,1-2H3
InChIKeyPTFAHTQAXVQQKB-UHFFFAOYSA-N
MW334.53 g/mol
LogP2.42
Rot. Bonds6

About 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106090814) has the molecular formula C13H22N2O2S3 and a molecular weight of 334.53 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106090814
Molecular FormulaC13H22N2O2S3
Molecular Weight334.53 g/mol
Exact Mass334.08
IUPAC Name4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC2CCC(SC)CC2)c1
InChIInChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-3-5-12(18-2)6-4-11/h7,9,11-12,14-15H,3-6,8H2,1-2H3
InChIKeyPTFAHTQAXVQQKB-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106091472
N-(3-methoxycyclopentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106093112
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106269739
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
4-(aminomethyl)-N-(thian-4-yl)thiophene-2-sulfonamide
CID 106084527

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106090814) is 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC2CCC(SC)CC2)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is PTFAHTQAXVQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S3/c1-14-8-10-7-13(19-9-10)20(16,17)15-11-3-5-12(18-2)6-4-11/h7,9,11-12,14-15H,3-6,8H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 334.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106090814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).