N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C13H25ClN2O2S — CID 119805571

IUPACN-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCSC1(CNC(=O)CC2CCCN2)CCOCC1.Cl
InChIInChI=1S/C13H24N2O2S.ClH/c1-18-13(4-7-17-8-5-13)10-15-12(16)9-11-3-2-6-14-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyUKHXJTQHRSGDBM-UHFFFAOYSA-N
MW308.88 g/mol
LogP1.58
Rot. Bonds5

About N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119805571) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119805571
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC NameN-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCSC1(CNC(=O)CC2CCCN2)CCOCC1.Cl
InChIInChI=1S/C13H24N2O2S.ClH/c1-18-13(4-7-17-8-5-13)10-15-12(16)9-11-3-2-6-14-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyUKHXJTQHRSGDBM-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylsulfanylcyclohexyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 114116236
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 113450280
N-[(1-ethylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812251
N-[(1-methylsulfanylcyclobutyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114116108
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 113293895
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
N-[(1-ethylcyclopentyl)methyl]-2-piperidin-2-ylacetamide
CID 114125674
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119812139
N-[2-(ethylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689765
N-(oxan-4-ylmethyl)-2-piperidin-2-ylacetamide
CID 55226266
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
N-[2-(diethylamino)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119826503

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119805571) is N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CSC1(CNC(=O)CC2CCCN2)CCOCC1.Cl.
What is the InChIKey of N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is UKHXJTQHRSGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S.ClH/c1-18-13(4-7-17-8-5-13)10-15-12(16)9-11-3-2-6-14-11;/h11,14H,2-10H2,1H3,(H,15,16);1H.
What are the key properties of N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 308.88 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanyloxan-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119805571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).