3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine

C19H27N5O2S — CID 154878118

IUPAC3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
SMILESCn1nnnc1-c1cccc(S(=O)(=O)N2CCCC(C3CCCCC3)C2)c1
InChIInChI=1S/C19H27N5O2S/c1-23-19(20-21-22-23)16-9-5-11-18(13-16)27(25,26)24-12-6-10-17(14-24)15-7-3-2-4-8-15/h5,9,11,13,15,17H,2-4,6-8,10,12,14H2,1H3
InChIKeyDSLKRFUXIGRWNN-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.86
Rot. Bonds4

About 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine

3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine (PubChem CID 154878118) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
PubChem CID154878118
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine
SMILESCn1nnnc1-c1cccc(S(=O)(=O)N2CCCC(C3CCCCC3)C2)c1
InChIInChI=1S/C19H27N5O2S/c1-23-19(20-21-22-23)16-9-5-11-18(13-16)27(25,26)24-12-6-10-17(14-24)15-7-3-2-4-8-15/h5,9,11,13,15,17H,2-4,6-8,10,12,14H2,1H3
InChIKeyDSLKRFUXIGRWNN-UHFFFAOYSA-N
XLogP2.86
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine?
The IUPAC name of 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine (CID 154878118) is 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine?
The canonical SMILES for 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine is Cn1nnnc1-c1cccc(S(=O)(=O)N2CCCC(C3CCCCC3)C2)c1.
What is the InChIKey of 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine?
The InChIKey is DSLKRFUXIGRWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-23-19(20-21-22-23)16-9-5-11-18(13-16)27(25,26)24-12-6-10-17(14-24)15-7-3-2-4-8-15/h5,9,11,13,15,17H,2-4,6-8,10,12,14H2,1H3.
What are the key properties of 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine?
3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine has a molecular weight of 389.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[3-(1-methyltetrazol-5-yl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 154878118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).