1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol

C11H23NO2S — CID 107766128

IUPAC1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
SMILESCCC(C)CS(=O)CC(O)CNC1CC1
InChIInChI=1S/C11H23NO2S/c1-3-9(2)7-15(14)8-11(13)6-12-10-4-5-10/h9-13H,3-8H2,1-2H3
InChIKeyAYZQEINTCFCGQE-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.89
Rot. Bonds8

About 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol

1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol (PubChem CID 107766128) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
PubChem CID107766128
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
SMILESCCC(C)CS(=O)CC(O)CNC1CC1
InChIInChI=1S/C11H23NO2S/c1-3-9(2)7-15(14)8-11(13)6-12-10-4-5-10/h9-13H,3-8H2,1-2H3
InChIKeyAYZQEINTCFCGQE-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
CID 115477144
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
1-(cyclobutylamino)butan-2-ol
CID 62416322
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883
N-(2-methylbutyl)cyclopentanamine
CID 43200714
N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
CID 113318063
1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
CID 115477138
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol (CID 107766128) is 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol is CCC(C)CS(=O)CC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol?
The InChIKey is AYZQEINTCFCGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-3-9(2)7-15(14)8-11(13)6-12-10-4-5-10/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol?
1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol is sourced from PubChem (CID 107766128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).