5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one

C10H20N2OS — CID 107529971

IUPAC5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCSCCC(C)NCC1CCC(=O)N1
InChIInChI=1S/C10H20N2OS/c1-8(5-6-14-2)11-7-9-3-4-10(13)12-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOYEURUFNSQVENJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds6

About 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one

5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one (PubChem CID 107529971) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
PubChem CID107529971
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
SMILESCSCCC(C)NCC1CCC(=O)N1
InChIInChI=1S/C10H20N2OS/c1-8(5-6-14-2)11-7-9-3-4-10(13)12-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyOYEURUFNSQVENJ-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529275
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
CID 105357507
5-(3-aminobutylsulfanylmethyl)pyrrolidin-2-one
CID 107530256
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 103277087
5-[(2-methylsulfinylpropylamino)methyl]pyrrolidin-2-one
CID 107530001
5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one (CID 107529971) is 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one is CSCCC(C)NCC1CCC(=O)N1.
What is the InChIKey of 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one?
The InChIKey is OYEURUFNSQVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(5-6-14-2)11-7-9-3-4-10(13)12-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one?
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one has a molecular weight of 216.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).