N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide

C8H14N2OS — CID 71395055

IUPACN,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCCC1=S
InChIInChI=1S/C8H14N2OS/c1-9(2)7(11)6-10-5-3-4-8(10)12/h3-6H2,1-2H3
InChIKeyPQGTVNUOGWOCFS-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.50
Rot. Bonds2

About N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide

N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide (PubChem CID 71395055) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide
PubChem CID71395055
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide
SMILESCN(C)C(=O)CN1CCCC1=S
InChIInChI=1S/C8H14N2OS/c1-9(2)7(11)6-10-5-3-4-8(10)12/h3-6H2,1-2H3
InChIKeyPQGTVNUOGWOCFS-UHFFFAOYSA-N
XLogP0.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[(4aS,7aR)-6,6-dioxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-N,N-dimethylacetamide
CID 70742347
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 130669974
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N,N-dimethylacetamide
CID 7335027
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N,N-dimethylacetamide
CID 3112661
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
CID 55007881

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide (CID 71395055) is N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide is CN(C)C(=O)CN1CCCC1=S.
What is the InChIKey of N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide?
The InChIKey is PQGTVNUOGWOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-9(2)7(11)6-10-5-3-4-8(10)12/h3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide?
N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide has a molecular weight of 186.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71395055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).