N-propylsulfanylhydroxylamine

C3H9NOS — CID 122643605

IUPACN-propylsulfanylhydroxylamine
SMILESCCCSNO
InChIInChI=1S/C3H9NOS/c1-2-3-6-4-5/h4-5H,2-3H2,1H3
InChIKeyVRPQFSPNFBAJJD-UHFFFAOYSA-N
MW107.18 g/mol
LogP1.02
Rot. Bonds3

About N-propylsulfanylhydroxylamine

N-propylsulfanylhydroxylamine (PubChem CID 122643605) has the molecular formula C3H9NOS and a molecular weight of 107.18 g/mol. Its IUPAC name is N-propylsulfanylhydroxylamine.

Molecular Properties

Compound NameN-propylsulfanylhydroxylamine
PubChem CID122643605
Molecular FormulaC3H9NOS
Molecular Weight107.18 g/mol
Exact Mass107.04
IUPAC NameN-propylsulfanylhydroxylamine
SMILESCCCSNO
InChIInChI=1S/C3H9NOS/c1-2-3-6-4-5/h4-5H,2-3H2,1H3
InChIKeyVRPQFSPNFBAJJD-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-propylsulfanylhydroxylamine?
The IUPAC name of N-propylsulfanylhydroxylamine (CID 122643605) is N-propylsulfanylhydroxylamine.
What is the SMILES notation for N-propylsulfanylhydroxylamine?
The canonical SMILES for N-propylsulfanylhydroxylamine is CCCSNO.
What is the InChIKey of N-propylsulfanylhydroxylamine?
The InChIKey is VRPQFSPNFBAJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NOS/c1-2-3-6-4-5/h4-5H,2-3H2,1H3.
What are the key properties of N-propylsulfanylhydroxylamine?
N-propylsulfanylhydroxylamine has a molecular weight of 107.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfanylhydroxylamine is sourced from PubChem (CID 122643605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).