N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide

C12H20N2O2S2 — CID 79120828

IUPACN-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-8-12(17-9)18(15,16)14(2)11-6-4-10(13)5-7-11/h3,8,10-11H,4-7,13H2,1-2H3
InChIKeyYTVAIRWPVMPAPF-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.95
Rot. Bonds3

About N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide

N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 79120828) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
PubChem CID79120828
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)s1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-8-12(17-9)18(15,16)14(2)11-6-4-10(13)5-7-11/h3,8,10-11H,4-7,13H2,1-2H3
InChIKeyYTVAIRWPVMPAPF-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide (CID 79120828) is N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCC(N)CC2)s1.
What is the InChIKey of N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is YTVAIRWPVMPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-3-8-12(17-9)18(15,16)14(2)11-6-4-10(13)5-7-11/h3,8,10-11H,4-7,13H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide?
N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 79120828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).