N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H17N5O3S2 — CID 7700191

IUPACN-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N5O3S2/c1-15-11(12-13-14-15)20-6-10(17)16(8-2-3-8)9-4-5-21(18,19)7-9/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyBCEVFXUELGSAOU-SECBINFHSA-N
MW331.42 g/mol
LogP-0.52
Rot. Bonds5

About N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 7700191) has the molecular formula C11H17N5O3S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID7700191
Molecular FormulaC11H17N5O3S2
Molecular Weight331.42 g/mol
Exact Mass331.08
IUPAC NameN-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H17N5O3S2/c1-15-11(12-13-14-15)20-6-10(17)16(8-2-3-8)9-4-5-21(18,19)7-9/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyBCEVFXUELGSAOU-SECBINFHSA-N
XLogP-0.52
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 7700191) is N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BCEVFXUELGSAOU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N5O3S2/c1-15-11(12-13-14-15)20-6-10(17)16(8-2-3-8)9-4-5-21(18,19)7-9/h8-9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 331.42 g/mol, XLogP of -0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 7700191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).