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

C11H16ClNOS — CID 103291354

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSCc1ccccc1Cl
InChIInChI=1S/C11H16ClNOS/c1-13-10(6-14)8-15-7-9-4-2-3-5-11(9)12/h2-5,10,13-14H,6-8H2,1H3
InChIKeyZJWREYUYLDDYLY-UHFFFAOYSA-N
MW245.77 g/mol
LogP2.15
Rot. Bonds6

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

3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol (PubChem CID 103291354) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
PubChem CID103291354
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSCc1ccccc1Cl
InChIInChI=1S/C11H16ClNOS/c1-13-10(6-14)8-15-7-9-4-2-3-5-11(9)12/h2-5,10,13-14H,6-8H2,1H3
InChIKeyZJWREYUYLDDYLY-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfanyl]-N-methylpentan-2-amine
CID 103291082
1-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-3-methoxypropan-2-amine
CID 107511567
1-amino-3-[(2-chlorophenyl)methylsulfanyl]propan-2-ol
CID 103288623
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
2-acetamido-3-[(2-chlorophenyl)methylsulfanyl]propanoic acid
CID 53462760
1-[[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylmethyl]-2-chlorobenzene
CID 103288088
3-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(methylamino)propanoic acid
CID 103289692
methyl 4-[(2-chlorophenyl)methylsulfanyl]-2-methyl-2-(propan-2-ylamino)butanoate
CID 103289639
2-[(2-chlorophenyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711508
1-methoxy-N-methyl-3-[(2-methylphenyl)methylsulfanyl]propan-2-amine
CID 107511414
2-[(2-chlorophenyl)methylsulfanyl]-1-(2-methylphenyl)ethanamine
CID 103290995

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol (CID 103291354) is 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol is CNC(CO)CSCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol?
The InChIKey is ZJWREYUYLDDYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-13-10(6-14)8-15-7-9-4-2-3-5-11(9)12/h2-5,10,13-14H,6-8H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol?
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol has a molecular weight of 245.77 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 103291354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).