3-hydroxysulfanyl-N-methylpropan-1-amine

C4H11NOS — CID 145468207

IUPAC3-hydroxysulfanyl-N-methylpropan-1-amine
SMILESCNCCCSO
InChIInChI=1S/C4H11NOS/c1-5-3-2-4-7-6/h5-6H,2-4H2,1H3
InChIKeyUYQGXCVHKXPEGB-UHFFFAOYSA-N
MW121.20 g/mol
LogP0.80
Rot. Bonds4

About 3-hydroxysulfanyl-N-methylpropan-1-amine

3-hydroxysulfanyl-N-methylpropan-1-amine (PubChem CID 145468207) has the molecular formula C4H11NOS and a molecular weight of 121.20 g/mol. Its IUPAC name is 3-hydroxysulfanyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-hydroxysulfanyl-N-methylpropan-1-amine
PubChem CID145468207
Molecular FormulaC4H11NOS
Molecular Weight121.20 g/mol
Exact Mass121.06
IUPAC Name3-hydroxysulfanyl-N-methylpropan-1-amine
SMILESCNCCCSO
InChIInChI=1S/C4H11NOS/c1-5-3-2-4-7-6/h5-6H,2-4H2,1H3
InChIKeyUYQGXCVHKXPEGB-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 50.80
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'}

Analyze 3-hydroxysulfanyl-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methylamino)propane-1-sulfonic acid
CID 20504852
2-fluoro-3-hydroxysulfanyl-N-propylpropan-1-amine
CID 143236356
1-(Methylamino)propane-2-sulfonic acid
CID 21063675
3-(Methylamino)propane-1-sulfinic acid
CID 55300659
Methyl(3-sulfopropyl)azanium
CID 59964634
1-(Methylamino)-3-sulfosulfanylpropane
CID 89542342
2-(Propylamino)ethanesulfinic acid
CID 89611550
1-(Methylamino)-1-sulfosulfanylpropane
CID 89998401
3-(Ethylamino)propane-1-sulfinic acid
CID 91175006
4-(Methylamino)butane-1-sulfinic acid
CID 123806631
2-hydroxysulfanyl-N-methylethanamine
CID 137386175
Dimethyl(3-sulfanylpropyl)azanium hydroxide
CID 141201675

Frequently Asked Questions

What is the IUPAC name of 3-hydroxysulfanyl-N-methylpropan-1-amine?
The IUPAC name of 3-hydroxysulfanyl-N-methylpropan-1-amine (CID 145468207) is 3-hydroxysulfanyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-hydroxysulfanyl-N-methylpropan-1-amine?
The canonical SMILES for 3-hydroxysulfanyl-N-methylpropan-1-amine is CNCCCSO.
What is the InChIKey of 3-hydroxysulfanyl-N-methylpropan-1-amine?
The InChIKey is UYQGXCVHKXPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NOS/c1-5-3-2-4-7-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-hydroxysulfanyl-N-methylpropan-1-amine?
3-hydroxysulfanyl-N-methylpropan-1-amine has a molecular weight of 121.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxysulfanyl-N-methylpropan-1-amine is sourced from PubChem (CID 145468207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).