N-(1-sulfanylethyl)propanamide

C5H11NOS — CID 22119628

IUPACN-(1-sulfanylethyl)propanamide
SMILESCCC(=O)NC(C)S
InChIInChI=1S/C5H11NOS/c1-3-5(7)6-4(2)8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyGXZYFIICVHCZFC-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.79
Rot. Bonds2

About N-(1-sulfanylethyl)propanamide

N-(1-sulfanylethyl)propanamide (PubChem CID 22119628) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-(1-sulfanylethyl)propanamide.

Molecular Properties

Compound NameN-(1-sulfanylethyl)propanamide
PubChem CID22119628
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-(1-sulfanylethyl)propanamide
SMILESCCC(=O)NC(C)S
InChIInChI=1S/C5H11NOS/c1-3-5(7)6-4(2)8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyGXZYFIICVHCZFC-UHFFFAOYSA-N
XLogP0.79
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-(3-oxobutan-2-yl)propanamide
CID 22943760
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323
N-[(1S)-2,2,2-tribromo-1-hydroxyethyl]propanamide
CID 95560516
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556
N-(1-iodo-3-methylbutan-2-yl)propanamide
CID 107860016
2-(propanoylamino)-N-[[2-(propanoylamino)propanoylamino]methyl]propanamide
CID 18739938
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]propanamide
CID 10464584
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
N-(2-hydroxy-1-methoxyethyl)propanamide
CID 22735160

Frequently Asked Questions

What is the IUPAC name of N-(1-sulfanylethyl)propanamide?
The IUPAC name of N-(1-sulfanylethyl)propanamide (CID 22119628) is N-(1-sulfanylethyl)propanamide.
What is the SMILES notation for N-(1-sulfanylethyl)propanamide?
The canonical SMILES for N-(1-sulfanylethyl)propanamide is CCC(=O)NC(C)S.
What is the InChIKey of N-(1-sulfanylethyl)propanamide?
The InChIKey is GXZYFIICVHCZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-5(7)6-4(2)8/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N-(1-sulfanylethyl)propanamide?
N-(1-sulfanylethyl)propanamide has a molecular weight of 133.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-sulfanylethyl)propanamide is sourced from PubChem (CID 22119628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).