(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide

C14H21N3O2S — CID 13373548

IUPAC(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3/b16-14+
InChIKeyGZHXCRIQNQWNIT-JQIJEIRASA-N
MW295.41 g/mol
LogP2.25
Rot. Bonds4

About (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide

(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide (PubChem CID 13373548) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
PubChem CID13373548
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
SMILESCCCN1CCCC/C1=N\S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3/b16-14+
InChIKeyGZHXCRIQNQWNIT-JQIJEIRASA-N
XLogP2.25
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-butylpyrrolidin-2-ylidene)benzenesulfonamide
CID 3079984
(NE)-4-chloro-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide
CID 13373547
(NE)-N-(1-propylpiperidin-2-ylidene)pyridine-3-sulfonamide
CID 13373549
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
CID 44597895
methyl 4-[(Z)-(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
CID 6510241
(NE)-4-chloro-N-[1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CID 13373538
N-methyl-1-propylazepan-2-imine
CID 130445092
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
cyclopentyl-phenyl-[(1-propylazepan-2-ylidene)amino]methanol
CID 54243327
4-(1-propylpyrazol-4-yl)sulfonylaniline
CID 90135651

Frequently Asked Questions

What is the IUPAC name of (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide (CID 13373548) is (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide is CCCN1CCCC/C1=N\S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
The InChIKey is GZHXCRIQNQWNIT-JQIJEIRASA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-10-17-11-4-3-5-14(17)16-20(18,19)13-8-6-12(15)7-9-13/h6-9H,2-5,10-11,15H2,1H3/b16-14+.
What are the key properties of (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide?
(NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-amino-N-(1-propylpiperidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 13373548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).