N-(3-hydroxy-2-sulfanylpropyl)acetamide

C5H11NO2S — CID 145429936

IUPACN-(3-hydroxy-2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(S)CO
InChIInChI=1S/C5H11NO2S/c1-4(8)6-2-5(9)3-7/h5,7,9H,2-3H2,1H3,(H,6,8)
InChIKeyBVZHONCYMYQFTO-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.59
Rot. Bonds3

About N-(3-hydroxy-2-sulfanylpropyl)acetamide

N-(3-hydroxy-2-sulfanylpropyl)acetamide (PubChem CID 145429936) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-sulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-sulfanylpropyl)acetamide
PubChem CID145429936
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC NameN-(3-hydroxy-2-sulfanylpropyl)acetamide
SMILESCC(=O)NCC(S)CO
InChIInChI=1S/C5H11NO2S/c1-4(8)6-2-5(9)3-7/h5,7,9H,2-3H2,1H3,(H,6,8)
InChIKeyBVZHONCYMYQFTO-UHFFFAOYSA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(3-hydroxy-2-sulfanylpropyl)acetamide
CID 145429935
N-(2-amino-2-sulfanylethyl)acetamide
CID 175821750
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[(2R)-2-amino-2-(1,3-dihydroxypropan-2-yloxy)ethyl]acetamide;hydrate
CID 172994049
N-(2-hydroxy-1-sulfanylethyl)acetamide
CID 147296695
(2R)-2-(acetamidomethyl)-3-sulfanylpropanoic acid
CID 175370345
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The IUPAC name of N-(3-hydroxy-2-sulfanylpropyl)acetamide (CID 145429936) is N-(3-hydroxy-2-sulfanylpropyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-sulfanylpropyl)acetamide is CC(=O)NCC(S)CO.
What is the InChIKey of N-(3-hydroxy-2-sulfanylpropyl)acetamide?
The InChIKey is BVZHONCYMYQFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(8)6-2-5(9)3-7/h5,7,9H,2-3H2,1H3,(H,6,8).
What are the key properties of N-(3-hydroxy-2-sulfanylpropyl)acetamide?
N-(3-hydroxy-2-sulfanylpropyl)acetamide has a molecular weight of 149.22 g/mol, XLogP of -0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-sulfanylpropyl)acetamide is sourced from PubChem (CID 145429936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).