2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

C15H25N3O2S — CID 61106774

IUPAC2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11,16H2,1H3
InChIKeyANVWLUJNKHTOSV-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.73
Rot. Bonds6

About 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 61106774) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID61106774
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(N)c1
InChIInChI=1S/C15H25N3O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11,16H2,1H3
InChIKeyANVWLUJNKHTOSV-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
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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Related Compounds

2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
3-amino-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 79889833
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (CID 61106774) is 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN2CCCCC2)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is ANVWLUJNKHTOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13-6-7-15(14(16)12-13)21(19,20)17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17H,2-5,8-11,16H2,1H3.
What are the key properties of 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 61106774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).