N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C16H27N5OS — CID 650164

IUPACN,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27N5OS/c1-20-16(17-18-19-20)23-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3
InChIKeyZPOBHXNJZWGUCY-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.80
Rot. Bonds5

About N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 650164) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID650164
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC NameN,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27N5OS/c1-20-16(17-18-19-20)23-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3
InChIKeyZPOBHXNJZWGUCY-UHFFFAOYSA-N
XLogP2.80
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 650164) is N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZPOBHXNJZWGUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-20-16(17-18-19-20)23-12-15(22)21(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h13-14H,2-12H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 337.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 650164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).