N-cyclopentyl-3-phenylsulfanylpropanamide

C14H19NOS — CID 875577

IUPACN-cyclopentyl-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-12-6-4-5-7-12)10-11-17-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16)
InChIKeyXTMPCNRNWDDESY-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopentyl-3-phenylsulfanylpropanamide

N-cyclopentyl-3-phenylsulfanylpropanamide (PubChem CID 875577) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-cyclopentyl-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-phenylsulfanylpropanamide
PubChem CID875577
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-cyclopentyl-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCCC1
InChIInChI=1S/C14H19NOS/c16-14(15-12-6-4-5-7-12)10-11-17-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16)
InChIKeyXTMPCNRNWDDESY-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-phenylsulfanylpropanamide?
The IUPAC name of N-cyclopentyl-3-phenylsulfanylpropanamide (CID 875577) is N-cyclopentyl-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-phenylsulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-phenylsulfanylpropanamide?
The InChIKey is XTMPCNRNWDDESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c16-14(15-12-6-4-5-7-12)10-11-17-13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2,(H,15,16).
What are the key properties of N-cyclopentyl-3-phenylsulfanylpropanamide?
N-cyclopentyl-3-phenylsulfanylpropanamide has a molecular weight of 249.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-phenylsulfanylpropanamide is sourced from PubChem (CID 875577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).