1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine

C18H26N6O2S — CID 4285769

IUPAC1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H26N6O2S/c1-15-13-17(5-6-18(15)24-14-19-20-21-24)27(25,26)23-11-7-16(8-12-23)22-9-3-2-4-10-22/h5-6,13-14,16H,2-4,7-12H2,1H3
InChIKeyMERPNTOPQLHVNK-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.61
Rot. Bonds4

About 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine

1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 4285769) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID4285769
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC Name1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine
SMILESCc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1-n1cnnn1
InChIInChI=1S/C18H26N6O2S/c1-15-13-17(5-6-18(15)24-14-19-20-21-24)27(25,26)23-11-7-16(8-12-23)22-9-3-2-4-10-22/h5-6,13-14,16H,2-4,7-12H2,1H3
InChIKeyMERPNTOPQLHVNK-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine (CID 4285769) is 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine is Cc1cc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)ccc1-n1cnnn1.
What is the InChIKey of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is MERPNTOPQLHVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-15-13-17(5-6-18(15)24-14-19-20-21-24)27(25,26)23-11-7-16(8-12-23)22-9-3-2-4-10-22/h5-6,13-14,16H,2-4,7-12H2,1H3.
What are the key properties of 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine?
1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 390.51 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 4285769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).