N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide

C8H15NO2S — CID 66114075

IUPACN-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
SMILESO=C(CSCCCO)NC1CC1
InChIInChI=1S/C8H15NO2S/c10-4-1-5-12-6-8(11)9-7-2-3-7/h7,10H,1-6H2,(H,9,11)
InChIKeyKIHSIYAVZRCQMG-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.38
Rot. Bonds6

About N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide

N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide (PubChem CID 66114075) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
PubChem CID66114075
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide
SMILESO=C(CSCCCO)NC1CC1
InChIInChI=1S/C8H15NO2S/c10-4-1-5-12-6-8(11)9-7-2-3-7/h7,10H,1-6H2,(H,9,11)
InChIKeyKIHSIYAVZRCQMG-UHFFFAOYSA-N
XLogP0.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-hydroxypropylsulfanyl)-N-(oxan-4-yl)acetamide
CID 66127875
2-(2-aminoethylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 84556006
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
3-(3-aminopropylsulfanyl)-N-cyclopropylpropanamide
CID 66217317
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143
2-(2-aminoethylsulfanyl)-N-(cyclopropylcarbamoyl)acetamide
CID 43249562
2-(4-amino-4-hydroxyimino-3,3-dimethylbutyl)sulfanyl-N-cyclopropylacetamide
CID 114233723
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
N-cyclopropyl-2-[4-(5-hydroxypentyl)piperazin-1-yl]acetamide
CID 52875850
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
N,N'-dicyclopropylbutanediamide
CID 5225156
2-[[2-[bis[3-[3-[3-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpropanoylamino]propanoylamino]propyl]amino]acetyl]amino]acetic acid
CID 59002762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide (CID 66114075) is N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide is O=C(CSCCCO)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide?
The InChIKey is KIHSIYAVZRCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c10-4-1-5-12-6-8(11)9-7-2-3-7/h7,10H,1-6H2,(H,9,11).
What are the key properties of N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide?
N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide has a molecular weight of 189.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-hydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 66114075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).