N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide

C16H24N2OS — CID 107036327

IUPACN-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCC1CN(C)CCC1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12-11-18(2)9-8-14(12)17-16(19)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,17,19)
InChIKeyUGSPSLHGTCLHTQ-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.98
Rot. Bonds4

About N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide

N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107036327) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107036327
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
SMILESCC1CN(C)CCC1NC(=O)C(S)Cc1ccccc1
InChIInChI=1S/C16H24N2OS/c1-12-11-18(2)9-8-14(12)17-16(19)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,17,19)
InChIKeyUGSPSLHGTCLHTQ-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
3-phenyl-N-(2-propan-2-ylcyclohexyl)-2-sulfanylpropanamide
CID 107033557
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
N-(3,5-dimethylcyclohexyl)-3-phenyl-2-sulfanylpropanamide
CID 107030989
3-phenyl-N-(2-phenylcyclopropyl)-2-sulfanylpropanamide
CID 107027061
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036847
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
N-(oxan-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107023317
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide (CID 107036327) is N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide is CC1CN(C)CCC1NC(=O)C(S)Cc1ccccc1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is UGSPSLHGTCLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-11-18(2)9-8-14(12)17-16(19)15(20)10-13-6-4-3-5-7-13/h3-7,12,14-15,20H,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide?
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 292.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107036327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).