1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine

C12H16N6O2S — CID 27306331

IUPAC1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCS(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C12H16N6O2S/c1-21(19,20)17-9-7-16(8-10-17)12-13-14-15-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyLWVRZCHUGODURL-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.26
Rot. Bonds3

About 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine

1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 27306331) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID27306331
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCS(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C12H16N6O2S/c1-21(19,20)17-9-7-16(8-10-17)12-13-14-15-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyLWVRZCHUGODURL-UHFFFAOYSA-N
XLogP-0.26
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 2084594
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398
ethyl 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylbenzoate
CID 26451946
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
ethane;methane;tris(1-(1-phenyltetrazol-5-yl)-4-propan-2-ylpiperazine);tris(1,1,1-trideuterioethane)
CID 162039612
1-(2,3-dimethylphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 9311510
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
7-(4-methylsulfonylpiperazin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844856
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46600592

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine (CID 27306331) is 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine is CS(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is LWVRZCHUGODURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-21(19,20)17-9-7-16(8-10-17)12-13-14-15-18(12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine?
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 308.37 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 27306331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).