N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C9H14N6O2S — CID 71789140

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN1CC(NC(=O)CSc2nnnn2C)CC1=O
InChIInChI=1S/C9H14N6O2S/c1-14-4-6(3-8(14)17)10-7(16)5-18-9-11-12-13-15(9)2/h6H,3-5H2,1-2H3,(H,10,16)
InChIKeyRBEJLDQDKGAHJQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP-1.35
Rot. Bonds4

About N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 71789140) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID71789140
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN1CC(NC(=O)CSc2nnnn2C)CC1=O
InChIInChI=1S/C9H14N6O2S/c1-14-4-6(3-8(14)17)10-7(16)5-18-9-11-12-13-15(9)2/h6H,3-5H2,1-2H3,(H,10,16)
InChIKeyRBEJLDQDKGAHJQ-UHFFFAOYSA-N
XLogP-1.35
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 71789140) is N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CN1CC(NC(=O)CSc2nnnn2C)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RBEJLDQDKGAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-14-4-6(3-8(14)17)10-7(16)5-18-9-11-12-13-15(9)2/h6H,3-5H2,1-2H3,(H,10,16).
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 270.32 g/mol, XLogP of -1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 71789140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).