1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol

C13H19NO2S — CID 113318063

IUPAC1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
SMILESCc1cccc(S(=O)CC(O)CNC2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-10-3-2-4-13(7-10)17(16)9-12(15)8-14-11-5-6-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3
InChIKeyRGJXHGFQDUPHPN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.22
Rot. Bonds6

About 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol

1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol (PubChem CID 113318063) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
PubChem CID113318063
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
SMILESCc1cccc(S(=O)CC(O)CNC2CC2)c1
InChIInChI=1S/C13H19NO2S/c1-10-3-2-4-13(7-10)17(16)9-12(15)8-14-11-5-6-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3
InChIKeyRGJXHGFQDUPHPN-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
CID 113318073
1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
CID 115477138
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
1-[(4-ethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 60970383
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
N-methyl-2-(3-methylphenyl)sulfinyl-1-phenylethanamine
CID 64657051
1-(cyclopropylamino)-3-(2,5-dimethylphenyl)sulfanylpropan-2-ol
CID 43166408
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
(2R)-1-[(R)-phenylsulfinyl]-3-(propan-2-ylamino)propan-2-ol
CID 97356477
1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
CID 107766128
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol (CID 113318063) is 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol is Cc1cccc(S(=O)CC(O)CNC2CC2)c1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol?
The InChIKey is RGJXHGFQDUPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-3-2-4-13(7-10)17(16)9-12(15)8-14-11-5-6-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol?
1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol has a molecular weight of 253.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 113318063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).