3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide

C14H23N3O2S — CID 63821852

IUPAC3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(C)CCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)20(18,19)16-2/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyCQTLRHHVJMFXPR-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide

3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide (PubChem CID 63821852) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
PubChem CID63821852
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC2(C)CCCC2)c(N)c1
InChIInChI=1S/C14H23N3O2S/c1-14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)20(18,19)16-2/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3
InChIKeyCQTLRHHVJMFXPR-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63821107
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-amino-4-[(1,4-dimethylpiperidin-4-yl)methylamino]benzenesulfonamide
CID 107163046
1-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 107162990
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150
1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
CID 68870224
3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-N-methyl-4-(thian-2-ylmethylamino)benzenesulfonamide
CID 80596361

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide (CID 63821852) is 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCC2(C)CCCC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is CQTLRHHVJMFXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(7-3-4-8-14)10-17-13-6-5-11(9-12(13)15)20(18,19)16-2/h5-6,9,16-17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide?
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 63821852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).