N-propylsulfanylacetamide

C5H11NOS — CID 119096080

IUPACN-propylsulfanylacetamide
SMILESCCCSNC(C)=O
InChIInChI=1S/C5H11NOS/c1-3-4-8-6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyYZWAIORNOWDSMK-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.18
Rot. Bonds3

About N-propylsulfanylacetamide

N-propylsulfanylacetamide (PubChem CID 119096080) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-propylsulfanylacetamide.

Molecular Properties

Compound NameN-propylsulfanylacetamide
PubChem CID119096080
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-propylsulfanylacetamide
SMILESCCCSNC(C)=O
InChIInChI=1S/C5H11NOS/c1-3-4-8-6-5(2)7/h3-4H2,1-2H3,(H,6,7)
InChIKeyYZWAIORNOWDSMK-UHFFFAOYSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propylsulfanylacetamide?
The IUPAC name of N-propylsulfanylacetamide (CID 119096080) is N-propylsulfanylacetamide.
What is the SMILES notation for N-propylsulfanylacetamide?
The canonical SMILES for N-propylsulfanylacetamide is CCCSNC(C)=O.
What is the InChIKey of N-propylsulfanylacetamide?
The InChIKey is YZWAIORNOWDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-3-4-8-6-5(2)7/h3-4H2,1-2H3,(H,6,7).
What are the key properties of N-propylsulfanylacetamide?
N-propylsulfanylacetamide has a molecular weight of 133.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfanylacetamide is sourced from PubChem (CID 119096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).