N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide

C11H19N5O3S2 — CID 4839537

IUPACN-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-3-5-16(9-4-6-21(18,19)8-9)10(17)7-20-11-12-13-14-15(11)2/h9H,3-8H2,1-2H3
InChIKeyDEYQTCHAOSYGQV-UHFFFAOYSA-N
MW333.44 g/mol
LogP-0.27
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide (PubChem CID 4839537) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
PubChem CID4839537
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1nnnn1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N5O3S2/c1-3-5-16(9-4-6-21(18,19)8-9)10(17)7-20-11-12-13-14-15(11)2/h9H,3-8H2,1-2H3
InChIKeyDEYQTCHAOSYGQV-UHFFFAOYSA-N
XLogP-0.27
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide (CID 4839537) is N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1nnnn1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
The InChIKey is DEYQTCHAOSYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-3-5-16(9-4-6-21(18,19)8-9)10(17)7-20-11-12-13-14-15(11)2/h9H,3-8H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide has a molecular weight of 333.44 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 4839537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).