1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine

C10H20N6O2S — CID 27128878

IUPAC1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnnc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N6O2S/c1-3-4-16-10(11-12-13-16)9-14-5-7-15(8-6-14)19(2,17)18/h3-9H2,1-2H3
InChIKeyQDUDONKMUHLTMZ-UHFFFAOYSA-N
MW288.38 g/mol
LogP-0.84
Rot. Bonds5

About 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine

1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine (PubChem CID 27128878) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
PubChem CID27128878
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Name1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine
SMILESCCCn1nnnc1CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H20N6O2S/c1-3-4-16-10(11-12-13-16)9-14-5-7-15(8-6-14)19(2,17)18/h3-9H2,1-2H3
InChIKeyQDUDONKMUHLTMZ-UHFFFAOYSA-N
XLogP-0.84
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine (CID 27128878) is 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine is CCCn1nnnc1CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
The InChIKey is QDUDONKMUHLTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-3-4-16-10(11-12-13-16)9-14-5-7-15(8-6-14)19(2,17)18/h3-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine?
1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine has a molecular weight of 288.38 g/mol, XLogP of -0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[(1-propyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 27128878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).