1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine

C14H22N2O2S — CID 63821107

IUPAC1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
SMILESCC1(CNc2ccc(S(C)(=O)=O)cc2N)CCCC1
InChIInChI=1S/C14H22N2O2S/c1-14(7-3-4-8-14)10-16-13-6-5-11(9-12(13)15)19(2,17)18/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyZWRRTGQRQMPFKI-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.66
Rot. Bonds4

About 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine

1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine (PubChem CID 63821107) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
PubChem CID63821107
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
SMILESCC1(CNc2ccc(S(C)(=O)=O)cc2N)CCCC1
InChIInChI=1S/C14H22N2O2S/c1-14(7-3-4-8-14)10-16-13-6-5-11(9-12(13)15)19(2,17)18/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyZWRRTGQRQMPFKI-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine 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

1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 107162990
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
CID 68870224
3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
1-N-(2-cyclopentylethyl)-4-methylsulfonylbenzene-1,2-diamine
CID 54932454
N-[(1-methylcyclohexyl)methyl]-2-methylsulfonylaniline
CID 103753761
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
1-N-(2-cyclopropylpropan-2-yl)-4-methylsulfonylbenzene-1,2-diamine
CID 114110446
1-N-[(4-methylcyclohexyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63243524
1-N-[(1-methylcyclopropyl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 114099168
2-amino-3-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 112674911

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine (CID 63821107) is 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine is CC1(CNc2ccc(S(C)(=O)=O)cc2N)CCCC1.
What is the InChIKey of 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine?
The InChIKey is ZWRRTGQRQMPFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(7-3-4-8-14)10-16-13-6-5-11(9-12(13)15)19(2,17)18/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine?
1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine has a molecular weight of 282.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine is sourced from PubChem (CID 63821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).