N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H18N6OS — CID 8022028

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)C1(C#N)CCCCC1
InChIInChI=1S/C12H18N6OS/c1-17(12(9-13)6-4-3-5-7-12)10(19)8-20-11-14-15-16-18(11)2/h3-8H2,1-2H3
InChIKeyFTUWQZFUXYXVSK-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.99
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 8022028) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID8022028
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)C1(C#N)CCCCC1
InChIInChI=1S/C12H18N6OS/c1-17(12(9-13)6-4-3-5-7-12)10(19)8-20-11-14-15-16-18(11)2/h3-8H2,1-2H3
InChIKeyFTUWQZFUXYXVSK-UHFFFAOYSA-N
XLogP0.99
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 8022028) is N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FTUWQZFUXYXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-17(12(9-13)6-4-3-5-7-12)10(19)8-20-11-14-15-16-18(11)2/h3-8H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 8022028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).