1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole

C16H22N4O2S — CID 129399794

IUPAC1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
SMILESCc1cccc(S(=O)(=O)[C@H](C)c2nnnn2C2CCCCC2)c1
InChIInChI=1S/C16H22N4O2S/c1-12-7-6-10-15(11-12)23(21,22)13(2)16-17-18-19-20(16)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyOVPPKUVVYUKCHG-CYBMUJFWSA-N
MW334.44 g/mol
LogP3.02
Rot. Bonds4

About 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole

1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole (PubChem CID 129399794) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole.

Molecular Properties

Compound Name1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
PubChem CID129399794
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
SMILESCc1cccc(S(=O)(=O)[C@H](C)c2nnnn2C2CCCCC2)c1
InChIInChI=1S/C16H22N4O2S/c1-12-7-6-10-15(11-12)23(21,22)13(2)16-17-18-19-20(16)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3/t13-/m1/s1
InChIKeyOVPPKUVVYUKCHG-CYBMUJFWSA-N
XLogP3.02
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
CID 124620967
1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
CID 99859193
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976
N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide
CID 134093945
1-(3-chlorophenyl)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]piperazin-4-ium
CID 7140529
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole
CID 99832324
1-cyclohexyl-4-[(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]piperazine
CID 3208575
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidine
CID 1433524
1-[(R)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443349
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole?
The IUPAC name of 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole (CID 129399794) is 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole.
What is the SMILES notation for 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole?
The canonical SMILES for 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole is Cc1cccc(S(=O)(=O)[C@H](C)c2nnnn2C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole?
The InChIKey is OVPPKUVVYUKCHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-7-6-10-15(11-12)23(21,22)13(2)16-17-18-19-20(16)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole?
1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole has a molecular weight of 334.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole is sourced from PubChem (CID 129399794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).