(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide

C13H17NO2S — CID 35041164

IUPAC(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(S[C@H](C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-6-7-10)17-12-5-3-4-11(8-12)16-2/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyYWEVDMSVVQMEQZ-SECBINFHSA-N
MW251.35 g/mol
LogP2.45
Rot. Bonds5

About (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide

(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide (PubChem CID 35041164) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
PubChem CID35041164
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(S[C@H](C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-6-7-10)17-12-5-3-4-11(8-12)16-2/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyYWEVDMSVVQMEQZ-SECBINFHSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
N-(4-aminocyclohexyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119474521
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
CID 79518105
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide (CID 35041164) is (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide is COc1cccc(S[C@H](C)C(=O)NC2CC2)c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide?
The InChIKey is YWEVDMSVVQMEQZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(13(15)14-10-6-7-10)17-12-5-3-4-11(8-12)16-2/h3-5,8-10H,6-7H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide?
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide has a molecular weight of 251.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 35041164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).