2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone

C10H19NO3S — CID 123101006

IUPAC2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)CCCO)N1CCCCC1
InChIInChI=1S/C10H19NO3S/c12-7-4-8-15(14)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyBFSJNAABBKBMHD-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.13
Rot. Bonds5

About 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone

2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone (PubChem CID 123101006) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone
PubChem CID123101006
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone
SMILESO=C(CS(=O)CCCO)N1CCCCC1
InChIInChI=1S/C10H19NO3S/c12-7-4-8-15(14)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2
InChIKeyBFSJNAABBKBMHD-UHFFFAOYSA-N
XLogP0.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1-(azepan-1-yl)-2-(3-hydroxypropylsulfanyl)ethanone
CID 66114073
1-(azepan-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 110923764
2-(2-amino-2-methylpropyl)sulfinyl-1-pyrrolidin-1-ylethanone
CID 81189924
1-(azepan-1-yl)-2-(3-hydroxypropylsulfonyl)ethanone
CID 82181869
2-(3-hydroxypropylsulfonyl)-1-piperidin-1-ylethanone
CID 82181863
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
ethyl 2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfinylpropanoate
CID 114236065
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 60645190

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone (CID 123101006) is 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone is O=C(CS(=O)CCCO)N1CCCCC1.
What is the InChIKey of 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone?
The InChIKey is BFSJNAABBKBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c12-7-4-8-15(14)9-10(13)11-5-2-1-3-6-11/h12H,1-9H2.
What are the key properties of 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone?
2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone has a molecular weight of 233.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfinyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 123101006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).