5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one

C9H18N2O2S — CID 107530001

IUPAC5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
SMILESCC(CNCC1CCC(=O)N1)S(C)=O
InChIInChI=1S/C9H18N2O2S/c1-7(14(2)13)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyASUZWKDEBNOSCJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.38
Rot. Bonds5

About 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one

5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one (PubChem CID 107530001) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
PubChem CID107530001
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
SMILESCC(CNCC1CCC(=O)N1)S(C)=O
InChIInChI=1S/C9H18N2O2S/c1-7(14(2)13)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyASUZWKDEBNOSCJ-UHFFFAOYSA-N
XLogP-0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
H-Pyr-Nva-D-Met-NH2
CID 73351798
(2S,4R)-4-amino-N,N-diethyl-1-[(methylsulfonyl)acetyl]pyrrolidine-2-carboxamide
CID 56709986
(2S)-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 91660808
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-ylbutane-1-sulfonamide
CID 164639979
N-{[(2S,4S)-4-fluoro-1-(isopropylsulfonyl)pyrrolidin-2-yl]methyl}pentanamide
CID 70717573
4,4-difluoro-N-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 120348212
4,4-difluoro-N-methyl-N-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 120348214
N-(2-ethylsulfonylethyl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120349572
4,4-difluoro-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-2-carboxamide
CID 120349984
(2R,4S)-4-fluoro-N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 120471692
N-ethyl-4,4-difluoro-N-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 120955174

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one (CID 107530001) is 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one is CC(CNCC1CCC(=O)N1)S(C)=O.
What is the InChIKey of 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one?
The InChIKey is ASUZWKDEBNOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(14(2)13)5-10-6-8-3-4-9(12)11-8/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one?
5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one has a molecular weight of 218.32 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).