5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide

C15H25N3O2S — CID 103505164

IUPAC5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCC(C(C)C)CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10(2)12-4-6-18(7-5-12)14-8-13(16)9-15(11(14)3)21(17,19)20/h8-10,12H,4-7,16H2,1-3H3,(H2,17,19,20)
InChIKeyGFOIOJQSOJUQNA-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.10
Rot. Bonds3

About 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide

5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide (PubChem CID 103505164) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
PubChem CID103505164
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCC(C(C)C)CC2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10(2)12-4-6-18(7-5-12)14-8-13(16)9-15(11(14)3)21(17,19)20/h8-10,12H,4-7,16H2,1-3H3,(H2,17,19,20)
InChIKeyGFOIOJQSOJUQNA-UHFFFAOYSA-N
XLogP2.10
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.10
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

5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 79905007
5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
CID 79897251
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
5-amino-3-(2-ethyl-3-oxopiperazin-1-yl)-2-methylbenzenesulfonamide
CID 79901277
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
4-methyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid
CID 70606869
3-chloro-4-fluoro-5-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103505020
5-amino-2-(4-propan-2-ylpiperidin-1-yl)benzoic acid
CID 12784702

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide (CID 103505164) is 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide is Cc1c(N2CCC(C(C)C)CC2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is GFOIOJQSOJUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10(2)12-4-6-18(7-5-12)14-8-13(16)9-15(11(14)3)21(17,19)20/h8-10,12H,4-7,16H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide?
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 103505164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).