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

C9H18N2O3S — CID 66116132

IUPAC2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSCCCO
InChIInChI=1S/C9H18N2O3S/c1-2-4-10-9(14)11-8(13)7-15-6-3-5-12/h12H,2-7H2,1H3,(H2,10,11,13,14)
InChIKeyFLLLYKKJVKMPCM-UHFFFAOYSA-N
MW234.32 g/mol
LogP0.34
Rot. Bonds7

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

2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide (PubChem CID 66116132) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
PubChem CID66116132
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSCCCO
InChIInChI=1S/C9H18N2O3S/c1-2-4-10-9(14)11-8(13)7-15-6-3-5-12/h12H,2-7H2,1H3,(H2,10,11,13,14)
InChIKeyFLLLYKKJVKMPCM-UHFFFAOYSA-N
XLogP0.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
2-(2-hydroxyethylsulfanyl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 43392468
N-(propylcarbamoyl)butanamide
CID 12936931
2-bromo-N-(propylcarbamoyl)acetamide
CID 81223054
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
CID 106310465
[2-oxo-2-(propylcarbamoylamino)ethyl] N'-aminocarbamimidothioate
CID 77059910
N-butyl-2-octylsulfanylacetamide
CID 4583267
3-methyl-2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbutanoic acid
CID 105354229
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237259
2-pentylsulfanylacetohydrazide
CID 107760927

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide (CID 66116132) is 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSCCCO.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide?
The InChIKey is FLLLYKKJVKMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-2-4-10-9(14)11-8(13)7-15-6-3-5-12/h12H,2-7H2,1H3,(H2,10,11,13,14).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide?
2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide has a molecular weight of 234.32 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 66116132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).