N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide

C19H30N6O2S — CID 56550592

IUPACN-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(CCCCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H30N6O2S/c1-28(26,27)20-15-17-9-8-13-24(16-17)12-6-3-7-14-25-22-19(21-23-25)18-10-4-2-5-11-18/h2,4-5,10-11,17,20H,3,6-9,12-16H2,1H3
InChIKeyQZZIQUXSXDNZBV-UHFFFAOYSA-N
MW406.56 g/mol
LogP1.77
Rot. Bonds10

About N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 56550592) has the molecular formula C19H30N6O2S and a molecular weight of 406.56 g/mol. Its IUPAC name is N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID56550592
Molecular FormulaC19H30N6O2S
Molecular Weight406.56 g/mol
Exact Mass406.22
IUPAC NameN-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(CCCCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H30N6O2S/c1-28(26,27)20-15-17-9-8-13-24(16-17)12-6-3-7-14-25-22-19(21-23-25)18-10-4-2-5-11-18/h2,4-5,10-11,17,20H,3,6-9,12-16H2,1H3
InChIKeyQZZIQUXSXDNZBV-UHFFFAOYSA-N
XLogP1.77
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide (CID 56550592) is N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(CCCCCn2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is QZZIQUXSXDNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S/c1-28(26,27)20-15-17-9-8-13-24(16-17)12-6-3-7-14-25-22-19(21-23-25)18-10-4-2-5-11-18/h2,4-5,10-11,17,20H,3,6-9,12-16H2,1H3.
What are the key properties of N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 406.56 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 56550592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).