N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C11H19N5O3S2 — CID 9267835

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-8(2)16-11(12-13-14-16)20-6-10(17)15(3)9-4-5-21(18,19)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyZLWACNWZOFIRBP-SECBINFHSA-N
MW333.44 g/mol
LogP-0.01
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 9267835) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID9267835
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-8(2)16-11(12-13-14-16)20-6-10(17)15(3)9-4-5-21(18,19)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyZLWACNWZOFIRBP-SECBINFHSA-N
XLogP-0.01
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16318090
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4838036
N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
CID 4839537
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16308489
N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 16309119
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4834658
N-(1,1-Dioxidotetrahydrothiophen-3-yl)-N-ethyl-2-((1-methyl-1H-tetrazol-5-yl)thio)acetamide
CID 16317486
N,N-di(propan-2-yl)-2-[(1-propyl-5-tetrazolyl)thio]acetamide
CID 652193
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 16273137
N-[(1,1-dioxothiolan-3-yl)carbamoyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 16290142
2-(1-Methyltetrazol-5-yl)sulfonyl-1-pyrrolidin-1-ylethanone
CID 172447871
N-cyclopentyl-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16297824

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 9267835) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZLWACNWZOFIRBP-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-8(2)16-11(12-13-14-16)20-6-10(17)15(3)9-4-5-21(18,19)7-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 333.44 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 9267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).