N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide

C15H26N2O2S2 — CID 106072978

IUPACN-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC(C)(C)C2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-11-14(8-13(20-11)10-16-4)21(18,19)17-12-6-5-7-15(2,3)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyLGXAYLQNYKDAQV-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.02
Rot. Bonds5

About N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106072978) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106072978
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC(C)(C)C2)c(C)s1
InChIInChI=1S/C15H26N2O2S2/c1-11-14(8-13(20-11)10-16-4)21(18,19)17-12-6-5-7-15(2,3)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3
InChIKeyLGXAYLQNYKDAQV-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106071112
2-bromo-N-(2,2-dimethylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106071109
2-methyl-5-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
CID 106218789
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
N-(3,3-dimethylcyclopentyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 114552199
N-(1-methoxy-3-methylbutan-2-yl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068684
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298
N-(3,3-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylfuran-3-sulfonamide
CID 114552223
5-(aminomethyl)-2-methyl-N-(3-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106091372

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106072978) is N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCCC(C)(C)C2)c(C)s1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is LGXAYLQNYKDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-14(8-13(20-11)10-16-4)21(18,19)17-12-6-5-7-15(2,3)9-12/h8,12,16-17H,5-7,9-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 330.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106072978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).