2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide

C15H25N3O2S — CID 106007200

IUPAC2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCC2CCCC2)cc1N
InChIInChI=1S/C15H25N3O2S/c1-17-21(19,20)15-9-8-13(11-14(15)16)18-10-4-7-12-5-2-3-6-12/h8-9,11-12,17-18H,2-7,10,16H2,1H3
InChIKeyQCBRDUWMLGOVFZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.56
Rot. Bonds7

About 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide

2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide (PubChem CID 106007200) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
PubChem CID106007200
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCCC2CCCC2)cc1N
InChIInChI=1S/C15H25N3O2S/c1-17-21(19,20)15-9-8-13(11-14(15)16)18-10-4-7-12-5-2-3-6-12/h8-9,11-12,17-18H,2-7,10,16H2,1H3
InChIKeyQCBRDUWMLGOVFZ-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide (CID 106007200) is 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCCCC2CCCC2)cc1N.
What is the InChIKey of 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide?
The InChIKey is QCBRDUWMLGOVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17-21(19,20)15-9-8-13(11-14(15)16)18-10-4-7-12-5-2-3-6-12/h8-9,11-12,17-18H,2-7,10,16H2,1H3.
What are the key properties of 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide?
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 106007200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).