N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C14H23N5O3S2 — CID 4838036

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N5O3S2/c1-18-14(15-16-17-18)23-9-13(20)19(11-5-3-2-4-6-11)12-7-8-24(21,22)10-12/h11-12H,2-10H2,1H3
InChIKeyUWYJLSHNZRUSDY-UHFFFAOYSA-N
MW373.50 g/mol
LogP0.65
Rot. Bonds5

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4838036) has the molecular formula C14H23N5O3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4838036
Molecular FormulaC14H23N5O3S2
Molecular Weight373.50 g/mol
Exact Mass373.12
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N5O3S2/c1-18-14(15-16-17-18)23-9-13(20)19(11-5-3-2-4-6-11)12-7-8-24(21,22)10-12/h11-12H,2-10H2,1H3
InChIKeyUWYJLSHNZRUSDY-UHFFFAOYSA-N
XLogP0.65
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4838036) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UWYJLSHNZRUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S2/c1-18-14(15-16-17-18)23-9-13(20)19(11-5-3-2-4-6-11)12-7-8-24(21,22)10-12/h11-12H,2-10H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 373.50 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4838036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).