N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide

C13H22N2O2S2 — CID 107173116

IUPACN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C2CCCNCC2)s1
InChIInChI=1S/C13H22N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)11-5-4-9-14-10-8-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyTWJWZGORVHVCPN-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.07
Rot. Bonds4

About N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide

N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide (PubChem CID 107173116) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
PubChem CID107173116
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N(C)C2CCCNCC2)s1
InChIInChI=1S/C13H22N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)11-5-4-9-14-10-8-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyTWJWZGORVHVCPN-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 79702302
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104974562
5-(2-aminoethyl)-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 43520978
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
N-(2-chloroethyl)-N-cyclohexyl-5-ethylthiophene-2-sulfonamide
CID 63396348
N-(azepan-4-yl)-N,4-dimethylbenzenesulfonamide
CID 107173095
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 11561062
N-methyl-5-(2-methyl-1,3-thiazol-4-yl)-N-piperidin-4-ylthiophene-2-sulfonamide;hydrochloride
CID 119965838
N-(azepan-4-yl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 107173135
N-(azepan-4-yl)-2,6-difluoro-N-methylbenzenesulfonamide
CID 107173137
5-[cyclopentyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026500

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide (CID 107173116) is N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N(C)C2CCCNCC2)s1.
What is the InChIKey of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide?
The InChIKey is TWJWZGORVHVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-12-6-7-13(18-12)19(16,17)15(2)11-5-4-9-14-10-8-11/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide?
N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-ethyl-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107173116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).