N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide

C8H16N2O2S — CID 130582043

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide
SMILESCS(C)(=O)=NC(=O)CC1CCNC1
InChIInChI=1S/C8H16N2O2S/c1-13(2,12)10-8(11)5-7-3-4-9-6-7/h7,9H,3-6H2,1-2H3
InChIKeyHMQFKKSSXJRNEA-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.24
Rot. Bonds2

About N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide (PubChem CID 130582043) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide
PubChem CID130582043
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide
SMILESCS(C)(=O)=NC(=O)CC1CCNC1
InChIInChI=1S/C8H16N2O2S/c1-13(2,12)10-8(11)5-7-3-4-9-6-7/h7,9H,3-6H2,1-2H3
InChIKeyHMQFKKSSXJRNEA-UHFFFAOYSA-N
XLogP0.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 55296076
N-[[(3S)-pyrrolidin-3-yl]methyl]methanesulfonamide
CID 66653276
(3R)-3-(methylsulfonylmethyl)pyrrolidine
CID 124510073
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
3-(ethylsulfonylmethyl)pyrrolidine
CID 84656221
5-ethylsulfonyl-1-pyrrolidin-3-ylpentan-2-one
CID 116583438
N-oxo-2-piperidin-3-ylacetamide
CID 163768787
acetyl 2-pyrrolidin-3-ylacetate
CID 57229182
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
4-methylsulfonyl-1-piperidin-3-ylbutan-2-one
CID 116564301
2-[(3R)-pyrrolidin-3-yl]ethyl methanesulfonate;hydrochloride
CID 71643128
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide (CID 130582043) is N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide is CS(C)(=O)=NC(=O)CC1CCNC1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide?
The InChIKey is HMQFKKSSXJRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(2,12)10-8(11)5-7-3-4-9-6-7/h7,9H,3-6H2,1-2H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide has a molecular weight of 204.29 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 130582043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).