4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 114138567

IUPAC4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CN)cs2)C1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-2-4-11(5-9)14-18(15,16)12-6-10(7-13)8-17-12/h6,8-9,11,14H,2-5,7,13H2,1H3
InChIKeyLPVNNWBGEVGVEY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.06
Rot. Bonds4

About 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 114138567) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
PubChem CID114138567
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(CN)cs2)C1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-2-4-11(5-9)14-18(15,16)12-6-10(7-13)8-17-12/h6,8-9,11,14H,2-5,7,13H2,1H3
InChIKeyLPVNNWBGEVGVEY-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide (CID 114138567) is 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide is CC1CCCC(NS(=O)(=O)c2cc(CN)cs2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is LPVNNWBGEVGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-3-2-4-11(5-9)14-18(15,16)12-6-10(7-13)8-17-12/h6,8-9,11,14H,2-5,7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114138567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).