(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide

C13H16ClNOS — CID 95579036

IUPAC(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESC[C@@H](SCc1ccccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H16ClNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyYAGUBBIOLCRBMO-SECBINFHSA-N
MW269.80 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide

(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide (PubChem CID 95579036) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
PubChem CID95579036
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESC[C@@H](SCc1ccccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C13H16ClNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyYAGUBBIOLCRBMO-SECBINFHSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopropyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579031
(2R)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579038
N-cyclopropyl-2-[(2-ethoxyphenyl)methylsulfanyl]propanamide
CID 134021364
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
methyl 2-[(2-chlorophenyl)methylsulfanyl]propanoate
CID 78842701
4-[(2-chlorophenyl)methylsulfanyl]-2-(cyclopropylamino)-2-methylpentanamide
CID 103289605
(2S)-N-cyclopropyl-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 95579053
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 103289074
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329
2-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropylacetic acid
CID 103288004

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide (CID 95579036) is (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide is C[C@@H](SCc1ccccc1Cl)C(=O)NC1CC1.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
The InChIKey is YAGUBBIOLCRBMO-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClNOS/c1-9(13(16)15-11-6-7-11)17-8-10-4-2-3-5-12(10)14/h2-5,9,11H,6-8H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide?
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide has a molecular weight of 269.80 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 95579036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).