1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol

C13H19NO4S2 — CID 115477138

IUPAC1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
SMILESCS(=O)(=O)c1ccc(S(=O)CC(O)CNC2CC2)cc1
InChIInChI=1S/C13H19NO4S2/c1-20(17,18)13-6-4-12(5-7-13)19(16)9-11(15)8-14-10-2-3-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyALXBKXGHKSLJGS-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.31
Rot. Bonds7

About 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol

1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol (PubChem CID 115477138) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
PubChem CID115477138
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
SMILESCS(=O)(=O)c1ccc(S(=O)CC(O)CNC2CC2)cc1
InChIInChI=1S/C13H19NO4S2/c1-20(17,18)13-6-4-12(5-7-13)19(16)9-11(15)8-14-10-2-3-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyALXBKXGHKSLJGS-UHFFFAOYSA-N
XLogP0.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(Benzenesulfonyl)ethylamino]propan-1-ol
CID 76317530
Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
3-[(4-Fluorophenyl)sulfonyl]-4-[(2-methoxyethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897865
1-(Cyclopropylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 43166334
1-(2-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166335
1-(Cyclopropylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 43166355
1-(4-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 43166356
4-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)-1,1-dioxothiolan-3-amine
CID 73727085
1-(4-Fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol
CID 79022394
1-(Cyclopropylamino)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 80064960
1-(3-Fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
CID 80065049
1-(Cyclopropylamino)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 113317920

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol (CID 115477138) is 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol is CS(=O)(=O)c1ccc(S(=O)CC(O)CNC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol?
The InChIKey is ALXBKXGHKSLJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-20(17,18)13-6-4-12(5-7-13)19(16)9-11(15)8-14-10-2-3-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol?
1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol has a molecular weight of 317.43 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 115477138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).