4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide

C15H25N3O2S — CID 115313378

IUPAC4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCC(N)CC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-6-4-14(5-7-15)18-9-8-13(16)10-12(18)3/h4-7,11-13,17H,8-10,16H2,1-3H3
InChIKeyNPGDPNDNVIPYMC-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.69
Rot. Bonds4

About 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide

4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 115313378) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID115313378
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(N2CCC(N)CC2C)cc1
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-6-4-14(5-7-15)18-9-8-13(16)10-12(18)3/h4-7,11-13,17H,8-10,16H2,1-3H3
InChIKeyNPGDPNDNVIPYMC-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 62067887
4-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 64983236
3-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119685724
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
2-methyl-1-thiophen-3-ylpiperidin-4-amine
CID 66353049
1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
CID 54975867
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide (CID 115313378) is 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(N2CCC(N)CC2C)cc1.
What is the InChIKey of 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NPGDPNDNVIPYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-6-4-14(5-7-15)18-9-8-13(16)10-12(18)3/h4-7,11-13,17H,8-10,16H2,1-3H3.
What are the key properties of 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide?
4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 115313378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).