N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H21N5OS — CID 2999647

IUPACN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyOMERTMMDRJQIJW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.55
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2999647) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID2999647
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyOMERTMMDRJQIJW-UHFFFAOYSA-N
XLogP2.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 2999647) is N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is OMERTMMDRJQIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(13-8-4-2-5-9-13)15(22)12-23-16-17-18-19-21(16)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).