3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol

C8H18N2OS — CID 18724102

IUPAC3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol
SMILESCC(CN)C(O)C1CC(S)CN1
InChIInChI=1S/C8H18N2OS/c1-5(3-9)8(11)7-2-6(12)4-10-7/h5-8,10-12H,2-4,9H2,1H3
InChIKeyLHWSURTVIXPUAX-UHFFFAOYSA-N
MW190.31 g/mol
LogP-0.40
Rot. Bonds3

About 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol

3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol (PubChem CID 18724102) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol
PubChem CID18724102
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol
SMILESCC(CN)C(O)C1CC(S)CN1
InChIInChI=1S/C8H18N2OS/c1-5(3-9)8(11)7-2-6(12)4-10-7/h5-8,10-12H,2-4,9H2,1H3
InChIKeyLHWSURTVIXPUAX-UHFFFAOYSA-N
XLogP-0.40
TPSA58.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,5S)-5-propan-2-ylpiperazin-2-yl]ethanamine
CID 131048640
2-methyl-1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-ol
CID 101194744
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
4-amino-3-methylbutan-2-ol;methane
CID 158476628
5-[[methyl(2-methylpropyl)amino]methyl]pyrrolidine-3-thiol
CID 22986112
(1S)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanol
CID 124669253
1-[(2S)-4-(3-methylbutylsulfanyl)pyrrolidin-2-yl]ethanol
CID 143231137
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
N-(2-hydroxyethyl)-N-(2-methylpropyl)-4-sulfanylpyrrolidine-2-carboxamide
CID 19376225
(4R,5S,6S)-3-[(3S,5R)-5-(1-aminopropan-2-yl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 70277914
aziridin-2-yl(ethoxy)methanol
CID 163643755

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol (CID 18724102) is 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol is CC(CN)C(O)C1CC(S)CN1.
What is the InChIKey of 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is LHWSURTVIXPUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-5(3-9)8(11)7-2-6(12)4-10-7/h5-8,10-12H,2-4,9H2,1H3.
What are the key properties of 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol?
3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 190.31 g/mol, XLogP of -0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(4-sulfanylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 18724102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).