N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide

C13H21ClN2O2S2 — CID 103100478

IUPACN-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-16(11-6-4-10(15)5-7-11)20(17,18)12-8-9(2)13(14)19-12/h8,10-11H,3-7,15H2,1-2H3
InChIKeyAAYAYEIREMPMAD-UHFFFAOYSA-N
MW336.91 g/mol
LogP2.99
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide

N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide (PubChem CID 103100478) has the molecular formula C13H21ClN2O2S2 and a molecular weight of 336.91 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
PubChem CID103100478
Molecular FormulaC13H21ClN2O2S2
Molecular Weight336.91 g/mol
Exact Mass336.07
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)c(Cl)s1
InChIInChI=1S/C13H21ClN2O2S2/c1-3-16(11-6-4-10(15)5-7-11)20(17,18)12-8-9(2)13(14)19-12/h8,10-11H,3-7,15H2,1-2H3
InChIKeyAAYAYEIREMPMAD-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
N-(4-aminocyclohexyl)-N,5-diethylthiophene-2-sulfonamide
CID 79115688
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 79113665
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
N-(4-aminocyclohexyl)-3-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 79113661
5-bromo-4-chloro-N-cyclohexyl-N-ethylthiophene-2-sulfonamide
CID 80578771
5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 80745692
N-(azetidin-3-yl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103100467

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide (CID 103100478) is N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)c(Cl)s1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide?
The InChIKey is AAYAYEIREMPMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S2/c1-3-16(11-6-4-10(15)5-7-11)20(17,18)12-8-9(2)13(14)19-12/h8,10-11H,3-7,15H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide?
N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide has a molecular weight of 336.91 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-N-ethyl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).