5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106067327

IUPAC5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-14(10-16)20-12(15)2/h9,11,13,17H,3-8,10,16H2,1-2H3
InChIKeyIEILFNJGOWVRIO-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.01
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide (PubChem CID 106067327) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
PubChem CID106067327
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide
SMILESCc1sc(CN)cc1S(=O)(=O)NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-14(10-16)20-12(15)2/h9,11,13,17H,3-8,10,16H2,1-2H3
InChIKeyIEILFNJGOWVRIO-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-2-sulfonamide
CID 106067326
5-(aminomethyl)-2-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088377
5-(aminomethyl)-N-(1,4-dithian-2-ylmethyl)-2-methylthiophene-3-sulfonamide
CID 106078465
5-(aminomethyl)-2-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082684
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-(aminomethyl)-2-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085403
5-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 106076875
1-(2-aminoethyl)-N-[2-(3-methylcyclohexyl)ethyl]pyrazole-4-sulfonamide
CID 106067299
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylthiophene-3-sulfonamide
CID 114142094
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide (CID 106067327) is 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide is Cc1sc(CN)cc1S(=O)(=O)NCCC1CCCC(C)C1.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide?
The InChIKey is IEILFNJGOWVRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-4-3-5-13(8-11)6-7-17-21(18,19)15-9-14(10-16)20-12(15)2/h9,11,13,17H,3-8,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106067327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).