N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide

C12H21N3O3S — CID 166506326

IUPACN-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1CC[C@H](C)C1=O
InChIInChI=1S/C12H21N3O3S/c1-9-3-5-15(12(9)18)6-4-14-11(17)8-19-7-10(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyWGXBDTWZFMTAOI-VIFPVBQESA-N
MW287.38 g/mol
LogP-0.55
Rot. Bonds7

About N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide

N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 166506326) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID166506326
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide
SMILESCNC(=O)CSCC(=O)NCCN1CC[C@H](C)C1=O
InChIInChI=1S/C12H21N3O3S/c1-9-3-5-15(12(9)18)6-4-14-11(17)8-19-7-10(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyWGXBDTWZFMTAOI-VIFPVBQESA-N
XLogP-0.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide with MolForge

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Related Compounds

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethyl]acetamide
CID 139516961
2-[2-[2-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506275
2-[2-[2-(4-methyl-2-oxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 167261146
N-methyl-2-[2-oxo-2-[2-(1,1,3-trioxo-1,4-thiazinan-4-yl)ethylamino]ethyl]sulfanylacetamide
CID 166506245
2-[2-[2-[(3S)-3-hydroxy-2-oxopiperidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516887
2-[2-[2-(5-tert-butyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506435
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-methylacetamide
CID 166506369
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
CID 139516814
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
CID 167261263
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506395
N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 63789994

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide (CID 166506326) is N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide is CNC(=O)CSCC(=O)NCCN1CC[C@H](C)C1=O.
What is the InChIKey of N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is WGXBDTWZFMTAOI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-9-3-5-15(12(9)18)6-4-14-11(17)8-19-7-10(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide?
N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 166506326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).