4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

C15H25N3O2S — CID 82899998

IUPAC4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2S/c1-4-9-18(11-12-5-6-12)15-10-13(7-8-14(15)16)21(19,20)17(2)3/h7-8,10,12H,4-6,9,11,16H2,1-3H3
InChIKeyZPJNKIBQJOCZFU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.15
Rot. Bonds7

About 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide

4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 82899998) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID82899998
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCCCN(CC1CC1)c1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2S/c1-4-9-18(11-12-5-6-12)15-10-13(7-8-14(15)16)21(19,20)17(2)3/h7-8,10,12H,4-6,9,11,16H2,1-3H3
InChIKeyZPJNKIBQJOCZFU-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide (CID 82899998) is 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is CCCN(CC1CC1)c1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZPJNKIBQJOCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-9-18(11-12-5-6-12)15-10-13(7-8-14(15)16)21(19,20)17(2)3/h7-8,10,12H,4-6,9,11,16H2,1-3H3.
What are the key properties of 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide?
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82899998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).