3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

C15H25N3O2S — CID 43584159

IUPAC3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-12-6-5-9-18(11-12)15-8-7-13(10-14(15)16)21(19,20)17(2)3/h7-8,10,12H,4-6,9,11,16H2,1-3H3
InChIKeyBXPNCDNDKRPNNK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 43584159) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID43584159
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2N)C1
InChIInChI=1S/C15H25N3O2S/c1-4-12-6-5-9-18(11-12)15-8-7-13(10-14(15)16)21(19,20)17(2)3/h7-8,10,12H,4-6,9,11,16H2,1-3H3
InChIKeyBXPNCDNDKRPNNK-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

4-amino-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115964836
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43372899
2-[3-(methylsulfonylmethyl)piperidin-1-yl]aniline
CID 171546472
4-(3-ethylpiperidin-1-yl)-3-methylaniline
CID 43584157
4-[3-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80672154
4-amino-3-(3-ethylpiperidin-1-yl)benzonitrile
CID 113444119
[1-(2-amino-4-methylsulfonylphenyl)pyrrolidin-3-yl]methanol
CID 112623984
N,N-diethyl-4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzenesulfonamide
CID 9311198
ethyl 3-amino-4-[3-(methoxymethyl)piperidin-1-yl]benzoate
CID 106588291
5-amino-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43584179
1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
4-amino-3-[3-(2-hydroxyethyl)piperidin-1-yl]benzenesulfonamide
CID 107226922

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 43584159) is 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is CCC1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2N)C1.
What is the InChIKey of 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is BXPNCDNDKRPNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-12-6-5-9-18(11-12)15-8-7-13(10-14(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 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-ethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43584159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).