N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C12H19N5O3S2 — CID 24574157

IUPACN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N5O3S2/c1-2-16-12(13-14-15-16)21-7-11(18)17(9-3-4-9)10-5-6-22(19,20)8-10/h9-10H,2-8H2,1H3
InChIKeyDTPOAGVZZBTNBD-UHFFFAOYSA-N
MW345.45 g/mol
LogP-0.04
Rot. Bonds6

About N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 24574157) has the molecular formula C12H19N5O3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID24574157
Molecular FormulaC12H19N5O3S2
Molecular Weight345.45 g/mol
Exact Mass345.09
IUPAC NameN-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)N(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19N5O3S2/c1-2-16-12(13-14-15-16)21-7-11(18)17(9-3-4-9)10-5-6-22(19,20)8-10/h9-10H,2-8H2,1H3
InChIKeyDTPOAGVZZBTNBD-UHFFFAOYSA-N
XLogP-0.04
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 24574157) is N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)N(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is DTPOAGVZZBTNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S2/c1-2-16-12(13-14-15-16)21-7-11(18)17(9-3-4-9)10-5-6-22(19,20)8-10/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 345.45 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 24574157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).