3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide

C14H23N3O2S — CID 61171917

IUPAC3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C)cc(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-6-4-5-13(10-17)16-20(18,19)14-8-11(2)7-12(15)9-14/h7-9,13,16H,3-6,10,15H2,1-2H3
InChIKeyVPRNUUIDJUTRTH-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.34
Rot. Bonds4

About 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide

3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide (PubChem CID 61171917) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
PubChem CID61171917
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C)cc(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-3-17-6-4-5-13(10-17)16-20(18,19)14-8-11(2)7-12(15)9-14/h7-9,13,16H,3-6,10,15H2,1-2H3
InChIKeyVPRNUUIDJUTRTH-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.34
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

3-amino-5-methyl-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949964
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
N-[(3S)-1-ethylpiperidin-3-yl]naphthalene-2-sulfonamide
CID 52534323
N-[(3R)-1-ethylpiperidin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 52534305
3-amino-N-(1-ethylpiperidin-3-yl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358663
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
3-amino-N-(1-ethylpiperidin-3-yl)pyridine-2-sulfonamide
CID 103305213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide (CID 61171917) is 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide is CCN1CCCC(NS(=O)(=O)c2cc(C)cc(N)c2)C1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide?
The InChIKey is VPRNUUIDJUTRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-17-6-4-5-13(10-17)16-20(18,19)14-8-11(2)7-12(15)9-14/h7-9,13,16H,3-6,10,15H2,1-2H3.
What are the key properties of 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide?
3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-3-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 61171917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).