3-hydroxysulfanyl-N-iodopropan-1-amine

C3H8INOS — CID 118028326

IUPAC3-hydroxysulfanyl-N-iodopropan-1-amine
SMILESOSCCCNI
InChIInChI=1S/C3H8INOS/c4-5-2-1-3-7-6/h5-6H,1-3H2
InChIKeyPDQOZRHVRIFFHE-UHFFFAOYSA-N
MW233.07 g/mol
LogP1.52
Rot. Bonds4

About 3-hydroxysulfanyl-N-iodopropan-1-amine

3-hydroxysulfanyl-N-iodopropan-1-amine (PubChem CID 118028326) has the molecular formula C3H8INOS and a molecular weight of 233.07 g/mol. Its IUPAC name is 3-hydroxysulfanyl-N-iodopropan-1-amine.

Molecular Properties

Compound Name3-hydroxysulfanyl-N-iodopropan-1-amine
PubChem CID118028326
Molecular FormulaC3H8INOS
Molecular Weight233.07 g/mol
Exact Mass232.94
IUPAC Name3-hydroxysulfanyl-N-iodopropan-1-amine
SMILESOSCCCNI
InChIInChI=1S/C3H8INOS/c4-5-2-1-3-7-6/h5-6H,1-3H2
InChIKeyPDQOZRHVRIFFHE-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-3-hydroxysulfanylpropan-1-amine
CID 143236222
(3R)-3-amino-3-hydroxysulfanylpropane-1-thiol
CID 22801375
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
2-Hydroxysulfanylethanamine
CID 55289599
3-(Trioxidanylsulfanyl)propan-1-amine
CID 58031121
3-Hydroxysulfanylpropan-1-amine
CID 124083928
3-Hydroxysulfinothioylpropan-1-amine;hydrobromide
CID 141420693
2-Hydroxysulfanylethanamine;hydrochloride
CID 141473798
4-Hydroxysulfanylbutan-1-amine
CID 143810283
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
3-[Amino(dihydroxy)-lambda4-sulfanyl]propan-1-amine
CID 153405110
3-(Iodoamino)propane-1-sulfinic acid
CID 166654479

Frequently Asked Questions

What is the IUPAC name of 3-hydroxysulfanyl-N-iodopropan-1-amine?
The IUPAC name of 3-hydroxysulfanyl-N-iodopropan-1-amine (CID 118028326) is 3-hydroxysulfanyl-N-iodopropan-1-amine.
What is the SMILES notation for 3-hydroxysulfanyl-N-iodopropan-1-amine?
The canonical SMILES for 3-hydroxysulfanyl-N-iodopropan-1-amine is OSCCCNI.
What is the InChIKey of 3-hydroxysulfanyl-N-iodopropan-1-amine?
The InChIKey is PDQOZRHVRIFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INOS/c4-5-2-1-3-7-6/h5-6H,1-3H2.
What are the key properties of 3-hydroxysulfanyl-N-iodopropan-1-amine?
3-hydroxysulfanyl-N-iodopropan-1-amine has a molecular weight of 233.07 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysulfanyl-N-iodopropan-1-amine is sourced from PubChem (CID 118028326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).