1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride

C8H16ClNO2S — CID 70616832

IUPAC1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
SMILESCSCC(O)CN1CCCC1=O.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-12-6-7(10)5-9-4-2-3-8(9)11;/h7,10H,2-6H2,1H3;1H
InChIKeyHKEBWCKVXPLMMW-UHFFFAOYSA-N
MW225.74 g/mol
LogP0.75
Rot. Bonds4

About 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride

1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride (PubChem CID 70616832) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
PubChem CID70616832
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
SMILESCSCC(O)CN1CCCC1=O.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-12-6-7(10)5-9-4-2-3-8(9)11;/h7,10H,2-6H2,1H3;1H
InChIKeyHKEBWCKVXPLMMW-UHFFFAOYSA-N
XLogP0.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-[(methyldisulfanyl)methyl]pyrrolidin-2-one
CID 166715430
1-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111799224
1-[1,2-bis(methylsulfanyl)ethyl]pyrrolidin-2-one
CID 123282095
1-[3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116377
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride (CID 70616832) is 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride is CSCC(O)CN1CCCC1=O.Cl.
What is the InChIKey of 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is HKEBWCKVXPLMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH/c1-12-6-7(10)5-9-4-2-3-8(9)11;/h7,10H,2-6H2,1H3;1H.
What are the key properties of 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride?
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 70616832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).