1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

C12H17N7O2S — CID 167759057

IUPAC1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESCn1nnc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C12H17N7O2S/c1-17-15-12(14-16-17)22(20,21)19-8-6-18(7-9-19)10-11-4-2-3-5-13-11/h2-5H,6-10H2,1H3
InChIKeyBEEYJGSQYWZMRH-UHFFFAOYSA-N
MW323.38 g/mol
LogP-0.89
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine

1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 167759057) has the molecular formula C12H17N7O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
PubChem CID167759057
Molecular FormulaC12H17N7O2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC Name1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
SMILESCn1nnc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)n1
InChIInChI=1S/C12H17N7O2S/c1-17-15-12(14-16-17)22(20,21)19-8-6-18(7-9-19)10-11-4-2-3-5-13-11/h2-5H,6-10H2,1H3
InChIKeyBEEYJGSQYWZMRH-UHFFFAOYSA-N
XLogP-0.89
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylpiperazine
CID 134017693
1-(2,5-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413023
2-ethylsulfonyl-8-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449549
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
3-methylsulfonyl-9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97450340
1-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 17461841
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 17413660
5-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-1H-pyrimidine-2,4-dione
CID 46976850
oxalic acid;N-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 2901483
3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46646959
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 39626611
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine (CID 167759057) is 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is Cn1nnc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is BEEYJGSQYWZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2S/c1-17-15-12(14-16-17)22(20,21)19-8-6-18(7-9-19)10-11-4-2-3-5-13-11/h2-5H,6-10H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine?
1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 323.38 g/mol, XLogP of -0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 167759057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).