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

C13H17NO2S — CID 94214634

IUPAC(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-7-8-10)17-12-6-4-3-5-11(12)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyNNWFEFGPIIDTQB-SECBINFHSA-N
MW251.35 g/mol
LogP2.45
Rot. Bonds5

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

(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 94214634) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID94214634
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@H](C)C(=O)NC1CC1
InChIInChI=1S/C13H17NO2S/c1-9(13(15)14-10-7-8-10)17-12-6-4-3-5-11(12)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyNNWFEFGPIIDTQB-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

(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoate
CID 7968747
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
2-(2-amino-5-methoxyphenyl)sulfanyl-N-cyclopropylpropanamide
CID 79518105
N-(4-aminocyclohexyl)-2-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 119478329
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide (CID 94214634) is (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1S[C@H](C)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is NNWFEFGPIIDTQB-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(13(15)14-10-7-8-10)17-12-6-4-3-5-11(12)16-2/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide?
(2R)-N-cyclopropyl-2-(2-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-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).