3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide

C15H25N3O2S — CID 64909074

IUPAC3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2N)C1C
InChIInChI=1S/C15H25N3O2S/c1-10-5-7-14(11(10)2)17-15-8-6-12(9-13(15)16)21(19,20)18(3)4/h6,8-11,14,17H,5,7,16H2,1-4H3
InChIKeyMLPFFIANWRLMTR-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.37
Rot. Bonds4

About 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide

3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 64909074) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID64909074
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCC1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2N)C1C
InChIInChI=1S/C15H25N3O2S/c1-10-5-7-14(11(10)2)17-15-8-6-12(9-13(15)16)21(19,20)18(3)4/h6,8-11,14,17H,5,7,16H2,1-4H3
InChIKeyMLPFFIANWRLMTR-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 62360493
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 64922106
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
1-N-(4-methylcyclohexyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448004
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide (CID 64909074) is 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide is CC1CCC(Nc2ccc(S(=O)(=O)N(C)C)cc2N)C1C.
What is the InChIKey of 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MLPFFIANWRLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-5-7-14(11(10)2)17-15-8-6-12(9-13(15)16)21(19,20)18(3)4/h6,8-11,14,17H,5,7,16H2,1-4H3.
What are the key properties of 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide?
3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 64909074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).