1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol

C10H21NO2S — CID 115477120

IUPAC1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CS(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14(13)10-5-3-4-6-10/h9-12H,2-8H2,1H3
InChIKeyLMKKMBFFSVFWDC-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.65
Rot. Bonds6

About 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol

1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol (PubChem CID 115477120) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol
PubChem CID115477120
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CS(=O)C1CCCC1
InChIInChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14(13)10-5-3-4-6-10/h9-12H,2-8H2,1H3
InChIKeyLMKKMBFFSVFWDC-UHFFFAOYSA-N
XLogP0.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol (CID 115477120) is 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol is CCNCC(O)CS(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol?
The InChIKey is LMKKMBFFSVFWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14(13)10-5-3-4-6-10/h9-12H,2-8H2,1H3.
What are the key properties of 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol?
1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol has a molecular weight of 219.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfinyl-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 115477120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).