3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol

C13H19NO2S — CID 114370075

IUPAC3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
SMILESCOc1cccc(SC(CO)C(N)C2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-16-10-3-2-4-11(7-10)17-12(8-15)13(14)9-5-6-9/h2-4,7,9,12-13,15H,5-6,8,14H2,1H3
InChIKeyIIAAWNCBJSZLLN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.89
Rot. Bonds6

About 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol

3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol (PubChem CID 114370075) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
PubChem CID114370075
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol
SMILESCOc1cccc(SC(CO)C(N)C2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-16-10-3-2-4-11(7-10)17-12(8-15)13(14)9-5-6-9/h2-4,7,9,12-13,15H,5-6,8,14H2,1H3
InChIKeyIIAAWNCBJSZLLN-UHFFFAOYSA-N
XLogP1.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
cyclohexylmethyl 3,3-bis[(3-methoxyphenyl)sulfanyl]-N-phenylpropanimidothioate
CID 87469412
2-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropanamide
CID 63917104
3-amino-2-(3-methylphenyl)sulfanylbutan-1-ol
CID 64899617
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
2-cyclopropyl-3-(3-methoxyphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64806795
2-(3-methoxyphenyl)sulfanylbutanehydrazide
CID 63582830

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol (CID 114370075) is 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol is COc1cccc(SC(CO)C(N)C2CC2)c1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol?
The InChIKey is IIAAWNCBJSZLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-16-10-3-2-4-11(7-10)17-12(8-15)13(14)9-5-6-9/h2-4,7,9,12-13,15H,5-6,8,14H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol?
3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 114370075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).