5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide

C10H18N2O2S — CID 21053781

IUPAC5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide
SMILESCSCC(CCC(N)=O)N1CCCC1=O
InChIInChI=1S/C10H18N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyOGXXSMVEJUJPKR-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.61
Rot. Bonds6

About 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide

5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide (PubChem CID 21053781) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide
PubChem CID21053781
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide
SMILESCSCC(CCC(N)=O)N1CCCC1=O
InChIInChI=1S/C10H18N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyOGXXSMVEJUJPKR-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
(5S)-5-(propylsulfanylmethyl)pyrrolidin-2-one
CID 56672999
(5S)-5-(hexylsulfanylmethyl)pyrrolidin-2-one
CID 56666095
(5S)-5-(nonylsulfanylmethyl)pyrrolidin-2-one
CID 56673000
(2S)-4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835915
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-3-methylsulfanylbutanamide
CID 154753795
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-2-methylsulfanylbutanamide
CID 154753796
S-(2-acetamidoethyl) 2-(1-methylpyrrolidin-2-yl)(114C)ethanethioate
CID 101691171
S-[3-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-methyl-3-oxopropyl] ethanethioate
CID 14282325
4-Methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914
S-(2-aminoethyl) 2-(dimethylcarbamoyl)pyrrolidine-1-carbothioate
CID 19851816
5-Methyl-1-(3-propylsulfanylpropyl)pyrrolidin-2-one
CID 20755509

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide?
The IUPAC name of 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide (CID 21053781) is 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide.
What is the SMILES notation for 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide?
The canonical SMILES for 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide is CSCC(CCC(N)=O)N1CCCC1=O.
What is the InChIKey of 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide?
The InChIKey is OGXXSMVEJUJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-15-7-8(4-5-9(11)13)12-6-2-3-10(12)14/h8H,2-7H2,1H3,(H2,11,13).
What are the key properties of 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide?
5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide has a molecular weight of 230.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(2-oxopyrrolidin-1-yl)pentanamide is sourced from PubChem (CID 21053781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).