N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H21N5OS — CID 2338857

IUPACN-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-3-17(10-7-5-4-6-8-10)11(18)9-19-12-13-14-15-16(12)2/h10H,3-9H2,1-2H3
InChIKeyJIXWOIKEWHTILT-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.48
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2338857) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2338857
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCCN(C(=O)CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C12H21N5OS/c1-3-17(10-7-5-4-6-8-10)11(18)9-19-12-13-14-15-16(12)2/h10H,3-9H2,1-2H3
InChIKeyJIXWOIKEWHTILT-UHFFFAOYSA-N
XLogP1.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2338857) is N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CCN(C(=O)CSc1nnnn1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JIXWOIKEWHTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-17(10-7-5-4-6-8-10)11(18)9-19-12-13-14-15-16(12)2/h10H,3-9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2338857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).