N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide

C16H21NOS — CID 2899831

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C16H21NOS/c18-16(8-9-19-14-4-2-1-3-5-14)17-15-11-12-6-7-13(15)10-12/h1-5,12-13,15H,6-11H2,(H,17,18)
InChIKeyKBGVBELNPALBJS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.47
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide

N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide (PubChem CID 2899831) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
PubChem CID2899831
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CC2CCC1C2
InChIInChI=1S/C16H21NOS/c18-16(8-9-19-14-4-2-1-3-5-14)17-15-11-12-6-7-13(15)10-12/h1-5,12-13,15H,6-11H2,(H,17,18)
InChIKeyKBGVBELNPALBJS-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 23328186
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(phenylsulfanylmethyl)benzamide
CID 958858
N-(3-hydroxycyclohexyl)-3-phenylsulfanylpropanamide
CID 71786219
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide (CID 2899831) is N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide?
The InChIKey is KBGVBELNPALBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(8-9-19-14-4-2-1-3-5-14)17-15-11-12-6-7-13(15)10-12/h1-5,12-13,15H,6-11H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide has a molecular weight of 275.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2899831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).