1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole

C14H22N6O2S — CID 167879706

IUPAC1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole
SMILESCCn1nccc1CS(=O)(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C14H22N6O2S/c1-2-19-13(8-9-15-19)10-23(21,22)11-14-16-17-18-20(14)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyMTCNCYSDDBFXNJ-UHFFFAOYSA-N
MW338.44 g/mol
LogP1.51
Rot. Bonds6

About 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole

1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole (PubChem CID 167879706) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole
PubChem CID167879706
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole
SMILESCCn1nccc1CS(=O)(=O)Cc1nnnn1C1CCCCC1
InChIInChI=1S/C14H22N6O2S/c1-2-19-13(8-9-15-19)10-23(21,22)11-14-16-17-18-20(14)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyMTCNCYSDDBFXNJ-UHFFFAOYSA-N
XLogP1.51
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-butan-2-yl-2-[(1-cyclohexyltetrazol-5-yl)methylsulfonyl]acetamide
CID 167813448
(2-ethylpyrazol-3-yl)methanesulfonic acid
CID 175919562
2-[(1-cyclopropyltetrazol-5-yl)methylsulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 94021052
1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965671
2-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]-4-(trifluoromethyl)-1,3-thiazole
CID 166263702
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250
5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
1-cyclopropyl-5-[[4-(trifluoromethoxy)phenyl]sulfonylmethyl]tetrazole
CID 167933374
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
CID 134907750
1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-1-ium
CID 7125273

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole (CID 167879706) is 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole is CCn1nccc1CS(=O)(=O)Cc1nnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole?
The InChIKey is MTCNCYSDDBFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-2-19-13(8-9-15-19)10-23(21,22)11-14-16-17-18-20(14)12-6-4-3-5-7-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole?
1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole has a molecular weight of 338.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(2-ethylpyrazol-3-yl)methylsulfonylmethyl]tetrazole is sourced from PubChem (CID 167879706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).