N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

C13H17NO2S — CID 64665950

IUPACN-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(=O)NC2CC2)c1
InChIInChI=1S/C13H17NO2S/c1-9(15)10-3-2-4-12(7-10)17-8-13(16)14-11-5-6-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyREVWVUDHFIKAAJ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.11
Rot. Bonds5

About N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (PubChem CID 64665950) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
PubChem CID64665950
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(=O)NC2CC2)c1
InChIInChI=1S/C13H17NO2S/c1-9(15)10-3-2-4-12(7-10)17-8-13(16)14-11-5-6-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyREVWVUDHFIKAAJ-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-[1-(propylamino)ethyl]phenyl]sulfanylacetamide
CID 64664243
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
CID 64665320
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64666802
N-cyclopropyl-3-[3-(1-hydroxyethyl)phenoxy]propanamide
CID 62627215
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
N-cyclopropyl-2-[[5-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]acetamide
CID 114234869
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665943
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 64664246
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
2-(3-formylphenyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66354498

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (CID 64665950) is N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is CC(O)c1cccc(SCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The InChIKey is REVWVUDHFIKAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(15)10-3-2-4-12(7-10)17-8-13(16)14-11-5-6-11/h2-4,7,9,11,15H,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 64665950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).