4-hydroxysulfanylbutan-1-amine

C4H11NOS — CID 143810283

IUPAC4-hydroxysulfanylbutan-1-amine
SMILESNCCCCSO
InChIInChI=1S/C4H11NOS/c5-3-1-2-4-7-6/h6H,1-5H2
InChIKeyLRCOTYHDXMEDHW-UHFFFAOYSA-N
MW121.21 g/mol
LogP0.93
Rot. Bonds4

About 4-hydroxysulfanylbutan-1-amine

4-hydroxysulfanylbutan-1-amine (PubChem CID 143810283) has the molecular formula C4H11NOS and a molecular weight of 121.21 g/mol. Its IUPAC name is 4-hydroxysulfanylbutan-1-amine.

Molecular Properties

Compound Name4-hydroxysulfanylbutan-1-amine
PubChem CID143810283
Molecular FormulaC4H11NOS
Molecular Weight121.21 g/mol
Exact Mass121.06
IUPAC Name4-hydroxysulfanylbutan-1-amine
SMILESNCCCCSO
InChIInChI=1S/C4H11NOS/c5-3-1-2-4-7-6/h6H,1-5H2
InChIKeyLRCOTYHDXMEDHW-UHFFFAOYSA-N
XLogP0.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxysulfanylbutan-1-amine?
The IUPAC name of 4-hydroxysulfanylbutan-1-amine (CID 143810283) is 4-hydroxysulfanylbutan-1-amine.
What is the SMILES notation for 4-hydroxysulfanylbutan-1-amine?
The canonical SMILES for 4-hydroxysulfanylbutan-1-amine is NCCCCSO.
What is the InChIKey of 4-hydroxysulfanylbutan-1-amine?
The InChIKey is LRCOTYHDXMEDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c5-3-1-2-4-7-6/h6H,1-5H2.
What are the key properties of 4-hydroxysulfanylbutan-1-amine?
4-hydroxysulfanylbutan-1-amine has a molecular weight of 121.21 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxysulfanylbutan-1-amine is sourced from PubChem (CID 143810283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).