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

C12H23NO2S — CID 115477144

IUPAC1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
SMILESO=S(CC(O)CNC1CC1)CC1CCCC1
InChIInChI=1S/C12H23NO2S/c14-12(7-13-11-5-6-11)9-16(15)8-10-3-1-2-4-10/h10-14H,1-9H2
InChIKeyIPCOWZIKAUAFGP-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.04
Rot. Bonds7

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

1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol (PubChem CID 115477144) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
PubChem CID115477144
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol
SMILESO=S(CC(O)CNC1CC1)CC1CCCC1
InChIInChI=1S/C12H23NO2S/c14-12(7-13-11-5-6-11)9-16(15)8-10-3-1-2-4-10/h10-14H,1-9H2
InChIKeyIPCOWZIKAUAFGP-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2-methylbutylsulfinyl)propan-2-ol
CID 107766128
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
CID 114123365
1-(cyclopropylamino)-3-(3-fluorophenyl)sulfinylpropan-2-ol
CID 113318073
1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
4-(cyclopropylamino)butane-1,3-diol
CID 117236694
3-(cyclohexylmethylsulfinyl)-2-methylpropan-1-amine
CID 81200825
1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
CID 113318063
1-(cyclopropylamino)-3-(4-methylsulfonylphenyl)sulfinylpropan-2-ol
CID 115477138
1-cyclopentylsulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 115477122
1-(cyclobutylamino)butan-2-ol
CID 62416322

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol?
The IUPAC name of 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol (CID 115477144) is 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol?
The canonical SMILES for 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol is O=S(CC(O)CNC1CC1)CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol?
The InChIKey is IPCOWZIKAUAFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c14-12(7-13-11-5-6-11)9-16(15)8-10-3-1-2-4-10/h10-14H,1-9H2.
What are the key properties of 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol?
1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol has a molecular weight of 245.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethylsulfinyl)-3-(cyclopropylamino)propan-2-ol is sourced from PubChem (CID 115477144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).