N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide

C8H16N2O2S — CID 130582024

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)N=S(C)(C)=O)CCNC1
InChIInChI=1S/C8H16N2O2S/c1-8(4-5-9-6-8)7(11)10-13(2,3)12/h9H,4-6H2,1-3H3
InChIKeyFRUXZHIVFIVEAE-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.24
Rot. Bonds1

About N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide (PubChem CID 130582024) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide
PubChem CID130582024
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)N=S(C)(C)=O)CCNC1
InChIInChI=1S/C8H16N2O2S/c1-8(4-5-9-6-8)7(11)10-13(2,3)12/h9H,4-6H2,1-3H3
InChIKeyFRUXZHIVFIVEAE-UHFFFAOYSA-N
XLogP0.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

1-(3-methylpyrrolidin-3-yl)-3-methylsulfonylpropan-1-one
CID 116570102
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
3-methyl-1-(3-methylpyrrolidin-3-yl)but-2-en-1-one
CID 116570153
2-[ethyl-(3-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63142548
2-methyl-1-(3-methylpyrrolidin-3-yl)butan-1-one
CID 116569893
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide (CID 130582024) is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)N=S(C)(C)=O)CCNC1.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is FRUXZHIVFIVEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-8(4-5-9-6-8)7(11)10-13(2,3)12/h9H,4-6H2,1-3H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 204.29 g/mol, XLogP of 0.24, 1 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]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130582024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).