4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C15H22N8O2S — CID 118256754

IUPAC4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O2S/c16-26(24,25)14-12(13-19-21-22-20-13)11(1-6-18-14)23-9-4-15(5-10-23)2-7-17-8-3-15/h1,6,17H,2-5,7-10H2,(H2,16,24,25)(H,19,20,21,22)
InChIKeyBQHVCLQUAMZPHC-UHFFFAOYSA-N
MW378.46 g/mol
LogP-0.12
Rot. Bonds3

About 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118256754) has the molecular formula C15H22N8O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118256754
Molecular FormulaC15H22N8O2S
Molecular Weight378.46 g/mol
Exact Mass378.16
IUPAC Name4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(N2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1
InChIInChI=1S/C15H22N8O2S/c16-26(24,25)14-12(13-19-21-22-20-13)11(1-6-18-14)23-9-4-15(5-10-23)2-7-17-8-3-15/h1,6,17H,2-5,7-10H2,(H2,16,24,25)(H,19,20,21,22)
InChIKeyBQHVCLQUAMZPHC-UHFFFAOYSA-N
XLogP-0.12
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1H-tetrazol-5-yl)-[4,4''-bipyridine]-2-sulfonamide
CID 118265339
4-[cyclohexyl(methyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266065
4-(cyclohexylamino)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266067
4-(4-morpholin-4-ylpiperidin-1-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266070
4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266079
4-[4-(pyridin-4-ylmethyl)piperidin-1-yl]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266093
4-[(2-cyclohexylethyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266120
4-(4-hydroxypiperidin-1-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266125
4-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266151
4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266152
4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266158
4-(4-piperazin-1-ylpiperidin-1-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266159

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118256754) is 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(N2CCC3(CCNCC3)CC2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is BQHVCLQUAMZPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2S/c16-26(24,25)14-12(13-19-21-22-20-13)11(1-6-18-14)23-9-4-15(5-10-23)2-7-17-8-3-15/h1,6,17H,2-5,7-10H2,(H2,16,24,25)(H,19,20,21,22).
What are the key properties of 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 378.46 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazaspiro[5.5]undecan-3-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118256754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).