N-propan-2-ylsulfanylacetamide

C5H11NOS — CID 88915700

IUPACN-propan-2-ylsulfanylacetamide
SMILESCC(=O)NSC(C)C
InChIInChI=1S/C5H11NOS/c1-4(2)8-6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeyDHRXPVPYOJXYJA-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.18
Rot. Bonds2

About N-propan-2-ylsulfanylacetamide

N-propan-2-ylsulfanylacetamide (PubChem CID 88915700) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-propan-2-ylsulfanylacetamide
PubChem CID88915700
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-propan-2-ylsulfanylacetamide
SMILESCC(=O)NSC(C)C
InChIInChI=1S/C5H11NOS/c1-4(2)8-6-5(3)7/h4H,1-3H3,(H,6,7)
InChIKeyDHRXPVPYOJXYJA-UHFFFAOYSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylsulfanylacetamide?
The IUPAC name of N-propan-2-ylsulfanylacetamide (CID 88915700) is N-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-propan-2-ylsulfanylacetamide is CC(=O)NSC(C)C.
What is the InChIKey of N-propan-2-ylsulfanylacetamide?
The InChIKey is DHRXPVPYOJXYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4(2)8-6-5(3)7/h4H,1-3H3,(H,6,7).
What are the key properties of N-propan-2-ylsulfanylacetamide?
N-propan-2-ylsulfanylacetamide has a molecular weight of 133.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 88915700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).