N-sulfanylbutanamide

C4H9NOS — CID 18680505

IUPACN-sulfanylbutanamide
SMILESCCCC(=O)NS
InChIInChI=1S/C4H9NOS/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyFIXOTSFGKSTPFN-UHFFFAOYSA-N
MW119.19 g/mol
LogP0.75
Rot. Bonds2

About N-sulfanylbutanamide

N-sulfanylbutanamide (PubChem CID 18680505) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is N-sulfanylbutanamide.

Molecular Properties

Compound NameN-sulfanylbutanamide
PubChem CID18680505
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC NameN-sulfanylbutanamide
SMILESCCCC(=O)NS
InChIInChI=1S/C4H9NOS/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
InChIKeyFIXOTSFGKSTPFN-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-sulfanylbutanamide?
The IUPAC name of N-sulfanylbutanamide (CID 18680505) is N-sulfanylbutanamide.
What is the SMILES notation for N-sulfanylbutanamide?
The canonical SMILES for N-sulfanylbutanamide is CCCC(=O)NS.
What is the InChIKey of N-sulfanylbutanamide?
The InChIKey is FIXOTSFGKSTPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6).
What are the key properties of N-sulfanylbutanamide?
N-sulfanylbutanamide has a molecular weight of 119.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylbutanamide is sourced from PubChem (CID 18680505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).