2-[ethenyl(sulfanyl)amino]propan-2-ol

C5H11NOS — CID 163952629

IUPAC2-[ethenyl(sulfanyl)amino]propan-2-ol
SMILESC=CN(S)C(C)(C)O
InChIInChI=1S/C5H11NOS/c1-4-6(8)5(2,3)7/h4,7-8H,1H2,2-3H3
InChIKeySAQHIAVLLTYDCJ-UHFFFAOYSA-N
MW133.22 g/mol
LogP1.01
Rot. Bonds2

About 2-[ethenyl(sulfanyl)amino]propan-2-ol

2-[ethenyl(sulfanyl)amino]propan-2-ol (PubChem CID 163952629) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 2-[ethenyl(sulfanyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-[ethenyl(sulfanyl)amino]propan-2-ol
PubChem CID163952629
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name2-[ethenyl(sulfanyl)amino]propan-2-ol
SMILESC=CN(S)C(C)(C)O
InChIInChI=1S/C5H11NOS/c1-4-6(8)5(2,3)7/h4,7-8H,1H2,2-3H3
InChIKeySAQHIAVLLTYDCJ-UHFFFAOYSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
2-methylpropan-2-ol;molybdenum
CID 174435313
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
N-tert-butyl-N-ethenyl-2-methylpropan-2-amine
CID 160654417
2-(dimethylamino)propan-2-ol
CID 11251968
N-ethenyl-N,2-dimethylpropan-2-amine
CID 15241889
2-methyl-1-methylsulfanylbut-3-en-2-ol
CID 119098384
CID 88634394
CID 88634394
1,1-bis(sulfanyl)prop-2-en-1-ol
CID 123602556
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
3-tert-butyloct-1-en-3-ol
CID 101445482
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056

Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(sulfanyl)amino]propan-2-ol?
The IUPAC name of 2-[ethenyl(sulfanyl)amino]propan-2-ol (CID 163952629) is 2-[ethenyl(sulfanyl)amino]propan-2-ol.
What is the SMILES notation for 2-[ethenyl(sulfanyl)amino]propan-2-ol?
The canonical SMILES for 2-[ethenyl(sulfanyl)amino]propan-2-ol is C=CN(S)C(C)(C)O.
What is the InChIKey of 2-[ethenyl(sulfanyl)amino]propan-2-ol?
The InChIKey is SAQHIAVLLTYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-4-6(8)5(2,3)7/h4,7-8H,1H2,2-3H3.
What are the key properties of 2-[ethenyl(sulfanyl)amino]propan-2-ol?
2-[ethenyl(sulfanyl)amino]propan-2-ol has a molecular weight of 133.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(sulfanyl)amino]propan-2-ol is sourced from PubChem (CID 163952629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).