1-[2-(methylamino)phenyl]sulfanylpropan-2-ol

C10H15NOS — CID 15265331

IUPAC1-[2-(methylamino)phenyl]sulfanylpropan-2-ol
SMILESCNc1ccccc1SCC(C)O
InChIInChI=1S/C10H15NOS/c1-8(12)7-13-10-6-4-3-5-9(10)11-2/h3-6,8,11-12H,7H2,1-2H3
InChIKeyWHAXCDAFMKPJOB-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol

1-[2-(methylamino)phenyl]sulfanylpropan-2-ol (PubChem CID 15265331) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(methylamino)phenyl]sulfanylpropan-2-ol
PubChem CID15265331
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-[2-(methylamino)phenyl]sulfanylpropan-2-ol
SMILESCNc1ccccc1SCC(C)O
InChIInChI=1S/C10H15NOS/c1-8(12)7-13-10-6-4-3-5-9(10)11-2/h3-6,8,11-12H,7H2,1-2H3
InChIKeyWHAXCDAFMKPJOB-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(2-hydroxypropylsulfanyl)phenyl]sulfanylpropan-2-ol
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2-(difluoromethylsulfanyl)-N-methylaniline
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N-methyl-2-(propylaminosulfanyl)aniline
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N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
1-N-methyl-2-N-[[2-(methylamino)anilino]methyl]benzene-1,2-diamine
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1-naphthalen-1-ylsulfanylpropan-2-ol;prop-2-enoic acid
CID 175303082
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethyl]sulfanylaniline
CID 143578002
1-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-ol
CID 54530815
N-methyl-3-(2-methylpropylsulfanyl)pyridin-2-amine;hydrochloride
CID 175185543
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol?
The IUPAC name of 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol (CID 15265331) is 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol is CNc1ccccc1SCC(C)O.
What is the InChIKey of 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol?
The InChIKey is WHAXCDAFMKPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8(12)7-13-10-6-4-3-5-9(10)11-2/h3-6,8,11-12H,7H2,1-2H3.
What are the key properties of 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol?
1-[2-(methylamino)phenyl]sulfanylpropan-2-ol has a molecular weight of 197.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)phenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 15265331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).