2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine

C14H19N5O2S — CID 124620967

IUPAC2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
SMILESC[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H19N5O2S/c1-11(22(20,21)13-9-5-6-10-15-13)14-16-17-18-19(14)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyMGWOENSIPNQBSJ-LLVKDONJSA-N
MW321.41 g/mol
LogP2.11
Rot. Bonds4

About 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine

2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine (PubChem CID 124620967) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
PubChem CID124620967
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
SMILESC[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C14H19N5O2S/c1-11(22(20,21)13-9-5-6-10-15-13)14-16-17-18-19(14)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3/t11-/m1/s1
InChIKeyMGWOENSIPNQBSJ-LLVKDONJSA-N
XLogP2.11
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[(1R)-1-(3-methylphenyl)sulfonylethyl]tetrazole
CID 129399794
1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
CID 99859193
1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole
CID 99832324
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
1-[(R)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 1435698
1-[(S)-(1-cyclohexyltetrazol-5-yl)-pyridin-2-ylmethyl]-4-(2-fluorophenyl)piperazine
CID 1437638
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]piperidine
CID 861355
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]azepane
CID 861340
N-(1-cyclohexyltetrazol-5-yl)benzenesulfonamide
CID 134093945
1-[(S)-(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
CID 858129
1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 3201581
1-(1-cyclopentyltetrazol-5-yl)-N-methylethanamine
CID 103085419

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine?
The IUPAC name of 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine (CID 124620967) is 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine.
What is the SMILES notation for 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine?
The canonical SMILES for 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine is C[C@H](c1nnnn1C1CCCCC1)S(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine?
The InChIKey is MGWOENSIPNQBSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11(22(20,21)13-9-5-6-10-15-13)14-16-17-18-19(14)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine?
2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine has a molecular weight of 321.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine is sourced from PubChem (CID 124620967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).