(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

C15H20ClNO2S — CID 95599447

IUPAC(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-11(15(18)17-14-7-2-3-8-14)20(19)10-12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10H2,1H3,(H,17,18)/t11-,20-/m0/s1
InChIKeyMSUQCIOHXFVHRB-YBTHPKLGSA-N
MW313.85 g/mol
LogP3.04
Rot. Bonds5

About (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide

(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (PubChem CID 95599447) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
PubChem CID95599447
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
SMILESC[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO2S/c1-11(15(18)17-14-7-2-3-8-14)20(19)10-12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10H2,1H3,(H,17,18)/t11-,20-/m0/s1
InChIKeyMSUQCIOHXFVHRB-YBTHPKLGSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
CID 71878718
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
(2R)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95329028
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
CID 95599592
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
(2R)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 95329104
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 7838656
2-[(3-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133263009
2-[(3-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]-N-cyclopentylpropanamide
CID 133197959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The IUPAC name of (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide (CID 95599447) is (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide.
What is the SMILES notation for (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The canonical SMILES for (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
The InChIKey is MSUQCIOHXFVHRB-YBTHPKLGSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-11(15(18)17-14-7-2-3-8-14)20(19)10-12-5-4-6-13(16)9-12/h4-6,9,11,14H,2-3,7-8,10H2,1H3,(H,17,18)/t11-,20-/m0/s1.
What are the key properties of (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide?
(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide has a molecular weight of 313.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 95599447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).