N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C15H25N5OS — CID 1440821

IUPACN-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H25N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,21)
InChIKeyPMDXFJLXMPIZSR-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.72
Rot. Bonds5

About N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1440821) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID1440821
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESO=C(CSc1nnnn1C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H25N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,21)
InChIKeyPMDXFJLXMPIZSR-UHFFFAOYSA-N
XLogP2.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 1440821) is N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is O=C(CSc1nnnn1C1CCCCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PMDXFJLXMPIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c21-14(16-12-7-3-1-4-8-12)11-22-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-13H,1-11H2,(H,16,21).
What are the key properties of N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 323.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1440821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).