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

C12H20N2O2S2 — CID 114132163

IUPAC2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H20N2O2S2/c1-9-4-2-3-5-10(9)14-18(15,16)12-6-7-17-11(12)8-13/h6-7,9-10,14H,2-5,8,13H2,1H3
InChIKeyYMSTYALYBRUXEM-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.06
Rot. Bonds4

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

2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide (PubChem CID 114132163) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
PubChem CID114132163
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C12H20N2O2S2/c1-9-4-2-3-5-10(9)14-18(15,16)12-6-7-17-11(12)8-13/h6-7,9-10,14H,2-5,8,13H2,1H3
InChIKeyYMSTYALYBRUXEM-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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Related Compounds

N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
2-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
2-(aminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092082
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide (CID 114132163) is 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide is CC1CCCCC1NS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide?
The InChIKey is YMSTYALYBRUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-4-2-3-5-10(9)14-18(15,16)12-6-7-17-11(12)8-13/h6-7,9-10,14H,2-5,8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-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 2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114132163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).