1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol

C10H14ClNOS — CID 103288623

IUPAC1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
SMILESNCC(O)CSCc1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c11-10-4-2-1-3-8(10)6-14-7-9(13)5-12/h1-4,9,13H,5-7,12H2
InChIKeyFDJMQNKAMPYXQR-UHFFFAOYSA-N
MW231.75 g/mol
LogP1.89
Rot. Bonds5

About 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol

1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol (PubChem CID 103288623) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
PubChem CID103288623
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
SMILESNCC(O)CSCc1ccccc1Cl
InChIInChI=1S/C10H14ClNOS/c11-10-4-2-1-3-8(10)6-14-7-9(13)5-12/h1-4,9,13H,5-7,12H2
InChIKeyFDJMQNKAMPYXQR-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
1-[(2-chlorophenyl)methylsulfanyl]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 70617075
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
CID 103290995
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
2-[(2-chlorophenyl)methylsulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371375
1-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]-2-chlorobenzene
CID 103288088
3-[(2,5-dichlorophenyl)methylsulfanyl]propane-1,2-diol
CID 84585786
ethyl 3-[(2-chlorophenyl)methylsulfanyl]-2-(ethylamino)propanoate
CID 103289594
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
2-acetamido-3-[(2-chlorophenyl)methylsulfanyl]propanoic acid
CID 53462760
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol?
The IUPAC name of 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol (CID 103288623) is 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol is NCC(O)CSCc1ccccc1Cl.
What is the InChIKey of 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol?
The InChIKey is FDJMQNKAMPYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-4-2-1-3-8(10)6-14-7-9(13)5-12/h1-4,9,13H,5-7,12H2.
What are the key properties of 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol?
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol has a molecular weight of 231.75 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 103288623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).