N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide

C10H19NO2S — CID 107026376

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(CCO)C1CCCC1
InChIInChI=1S/C10H19NO2S/c12-7-6-11(10(13)5-8-14)9-3-1-2-4-9/h9,12,14H,1-8H2
InChIKeyHHKQUMHWYRYMTG-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.07
Rot. Bonds5

About N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide

N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide (PubChem CID 107026376) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
PubChem CID107026376
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
SMILESO=C(CCS)N(CCO)C1CCCC1
InChIInChI=1S/C10H19NO2S/c12-7-6-11(10(13)5-8-14)9-3-1-2-4-9/h9,12,14H,1-8H2
InChIKeyHHKQUMHWYRYMTG-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-4-sulfanylbutanamide
CID 17882732
N-butyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107024756
2-[Cyclopentyl(3-sulfanylpropanoyl)amino]acetic acid
CID 154400842
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 54994601
2-butylsulfanyl-N-cyclopentyl-N-(2-hydroxyethyl)acetamide
CID 54998741
2-tert-butylsulfanyl-N-cyclopentyl-N-(2-hydroxyethyl)acetamide
CID 54998889
N-cyclopentyl-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
CID 61583057
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 61583272
2-(cyanomethylsulfanyl)-N-cyclopentyl-N-(2-hydroxyethyl)acetamide
CID 61584680
N-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-ylsulfanylacetamide
CID 61584779
N-cyclopentyl-N-(2-hydroxyethyl)propanamide
CID 61584857
N-(2-hydroxyethyl)-N-pentan-3-yl-2-sulfanylacetamide
CID 65627210

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide (CID 107026376) is N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide is O=C(CCS)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
The InChIKey is HHKQUMHWYRYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-7-6-11(10(13)5-8-14)9-3-1-2-4-9/h9,12,14H,1-8H2.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide?
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107026376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).