2-benzylsulfanyl-N-cyclopentylpropanamide

C15H21NOS — CID 2889434

IUPAC2-benzylsulfanyl-N-cyclopentylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NOS/c1-12(15(17)16-14-9-5-6-10-14)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyMBRLDVDDXXBPNV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds5

About 2-benzylsulfanyl-N-cyclopentylpropanamide

2-benzylsulfanyl-N-cyclopentylpropanamide (PubChem CID 2889434) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-cyclopentylpropanamide
PubChem CID2889434
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name2-benzylsulfanyl-N-cyclopentylpropanamide
SMILESCC(SCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NOS/c1-12(15(17)16-14-9-5-6-10-14)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyMBRLDVDDXXBPNV-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 541808
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N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
CID 4086402
3-[(2-fluorobenzyl)thio]-N-(1-phenylethyl)propanamide
CID 5053724
3-[(3-fluorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 5055551
N-(2-oxothiolan-3-yl)-3-phenylpropanamide
CID 2905735
3-(Acetylsulfanyl)-N-benzyl-2-methylpropanimidic acid
CID 2828749
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
N-cyclopentyl-2-[(2-methylbenzyl)thio]acetamide
CID 774268
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-cyclopentylpropanamide?
The IUPAC name of 2-benzylsulfanyl-N-cyclopentylpropanamide (CID 2889434) is 2-benzylsulfanyl-N-cyclopentylpropanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-cyclopentylpropanamide?
The canonical SMILES for 2-benzylsulfanyl-N-cyclopentylpropanamide is CC(SCc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of 2-benzylsulfanyl-N-cyclopentylpropanamide?
The InChIKey is MBRLDVDDXXBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-12(15(17)16-14-9-5-6-10-14)18-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of 2-benzylsulfanyl-N-cyclopentylpropanamide?
2-benzylsulfanyl-N-cyclopentylpropanamide has a molecular weight of 263.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-cyclopentylpropanamide is sourced from PubChem (CID 2889434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).