4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide

C15H21N3OS — CID 60927749

IUPAC4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
SMILESC=CCSc1ccccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H21N3OS/c1-2-11-20-14-6-4-3-5-13(14)17-12-7-9-18(10-8-12)15(16)19/h2-6,12,17H,1,7-11H2,(H2,16,19)
InChIKeyLFCOQJVRFCWRBA-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.92
Rot. Bonds5

About 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide

4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide (PubChem CID 60927749) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
PubChem CID60927749
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
SMILESC=CCSc1ccccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C15H21N3OS/c1-2-11-20-14-6-4-3-5-13(14)17-12-7-9-18(10-8-12)15(16)19/h2-6,12,17H,1,7-11H2,(H2,16,19)
InChIKeyLFCOQJVRFCWRBA-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylsulfanylanilino)piperidine-1-carboxamide
CID 43781018
1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
CID 60927104
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
N-(3,4-dimethylcyclohexyl)-2-prop-2-enylsulfanylaniline
CID 64747196
1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
CID 115904201
2-[2-(oxan-4-ylamino)phenyl]sulfanylacetamide
CID 43722530
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
2-[2-[(4-propan-2-ylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 62709162
(3R,5S)-3,5-dimethyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945547
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
1-methylsulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide
CID 24603608

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide (CID 60927749) is 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide is C=CCSc1ccccc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide?
The InChIKey is LFCOQJVRFCWRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-11-20-14-6-4-3-5-13(14)17-12-7-9-18(10-8-12)15(16)19/h2-6,12,17H,1,7-11H2,(H2,16,19).
What are the key properties of 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide?
4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 60927749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).