N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide

C13H20N2O2S — CID 10506628

IUPACN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1
InChIKeyVVOFSHARRCJLLA-CHWSQXEVSA-N
MW268.38 g/mol
LogP1.54
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 10506628) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide
PubChem CID10506628
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1
InChIKeyVVOFSHARRCJLLA-CHWSQXEVSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide (CID 10506628) is N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)cc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is VVOFSHARRCJLLA-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-6-8-11(9-7-10)18(16,17)15-13-5-3-2-4-12(13)14/h6-9,12-13,15H,2-5,14H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10506628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).