1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile

C10H16N6S — CID 79637008

IUPAC1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(Sc2nnnn2C)C1
InChIInChI=1S/C10H16N6S/c1-12-10(7-11)5-3-4-8(6-10)17-9-13-14-15-16(9)2/h8,12H,3-6H2,1-2H3
InChIKeyGWIKFXUJLWICJP-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.73
Rot. Bonds3

About 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile

1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile (PubChem CID 79637008) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile
PubChem CID79637008
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(Sc2nnnn2C)C1
InChIInChI=1S/C10H16N6S/c1-12-10(7-11)5-3-4-8(6-10)17-9-13-14-15-16(9)2/h8,12H,3-6H2,1-2H3
InChIKeyGWIKFXUJLWICJP-UHFFFAOYSA-N
XLogP0.73
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-methyltetrazol-5-yl)sulfanyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79636012
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635948
ethyl 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635451
1-(methylamino)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)cyclopentane-1-carbonitrile
CID 79650139
methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79633730
1-(methylamino)-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 79650632
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79636479
1-(cyclopropylamino)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carbonitrile
CID 79637088
1-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carbonitrile
CID 79636794
3-(1-methyltetrazol-5-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634793
ethyl 1-(ethylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79635597
3-(1,3-benzothiazol-2-ylsulfanyl)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79635939

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile (CID 79637008) is 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile is CNC1(C#N)CCCC(Sc2nnnn2C)C1.
What is the InChIKey of 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile?
The InChIKey is GWIKFXUJLWICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-12-10(7-11)5-3-4-8(6-10)17-9-13-14-15-16(9)2/h8,12H,3-6H2,1-2H3.
What are the key properties of 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile?
1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile has a molecular weight of 252.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79637008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).