N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide

C11H17BrN2O2S2 — CID 79988314

IUPACN-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(N)CC2)sc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-7-6-10(17-11(7)12)18(15,16)14-9-4-2-8(13)3-5-9/h6,8-9,14H,2-5,13H2,1H3
InChIKeyVARVYLHBYUYUAE-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.37
Rot. Bonds3

About N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide

N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide (PubChem CID 79988314) has the molecular formula C11H17BrN2O2S2 and a molecular weight of 353.31 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
PubChem CID79988314
Molecular FormulaC11H17BrN2O2S2
Molecular Weight353.31 g/mol
Exact Mass351.99
IUPAC NameN-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCC(N)CC2)sc1Br
InChIInChI=1S/C11H17BrN2O2S2/c1-7-6-10(17-11(7)12)18(15,16)14-9-4-2-8(13)3-5-9/h6,8-9,14H,2-5,13H2,1H3
InChIKeyVARVYLHBYUYUAE-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-cyclopropyl-4-methylthiophene-2-sulfonamide
CID 79925933
5-bromo-4-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 79931227
5-bromo-4-methyl-N-(1-oxothian-4-yl)thiophene-2-sulfonamide
CID 113347709
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
5-bromo-N-(1-cyclopropylpiperidin-4-yl)-4-methylthiophene-2-sulfonamide
CID 79934920
5-bromo-4-methyl-N-(thiolan-3-yl)thiophene-2-sulfonamide
CID 103739670
5-bromo-4-methyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 79988606
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 104982659
5-bromo-4-methyl-N-(5-oxopyrrolidin-3-yl)thiophene-2-sulfonamide
CID 104696894
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide (CID 79988314) is N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC2CCC(N)CC2)sc1Br.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide?
The InChIKey is VARVYLHBYUYUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S2/c1-7-6-10(17-11(7)12)18(15,16)14-9-4-2-8(13)3-5-9/h6,8-9,14H,2-5,13H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide?
N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromo-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79988314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).