N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide

C13H21N3O2S — CID 79458470

IUPACN-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCCC(N)C2)cc1
InChIInChI=1S/C13H21N3O2S/c1-19(17,18)16-12-7-5-11(6-8-12)15-13-4-2-3-10(14)9-13/h5-8,10,13,15-16H,2-4,9,14H2,1H3
InChIKeyLTLWBVALZAXLIA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.74
Rot. Bonds4

About N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide

N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 79458470) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID79458470
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCCC(N)C2)cc1
InChIInChI=1S/C13H21N3O2S/c1-19(17,18)16-12-7-5-11(6-8-12)15-13-4-2-3-10(14)9-13/h5-8,10,13,15-16H,2-4,9,14H2,1H3
InChIKeyLTLWBVALZAXLIA-UHFFFAOYSA-N
XLogP1.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide (CID 79458470) is N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NC2CCCC(N)C2)cc1.
What is the InChIKey of N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is LTLWBVALZAXLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-19(17,18)16-12-7-5-11(6-8-12)15-13-4-2-3-10(14)9-13/h5-8,10,13,15-16H,2-4,9,14H2,1H3.
What are the key properties of N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide?
N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 79458470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).