N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide

C14H20N2O3S — CID 71997395

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cccnc2)C12CCC2
InChIInChI=1S/C14H20N2O3S/c1-2-19-13-9-12(14(13)6-4-7-14)16-20(17,18)11-5-3-8-15-10-11/h3,5,8,10,12-13,16H,2,4,6-7,9H2,1H3
InChIKeyBJGHKXXINVBBFV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.71
Rot. Bonds5

About N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide

N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide (PubChem CID 71997395) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
PubChem CID71997395
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide
SMILESCCOC1CC(NS(=O)(=O)c2cccnc2)C12CCC2
InChIInChI=1S/C14H20N2O3S/c1-2-19-13-9-12(14(13)6-4-7-14)16-20(17,18)11-5-3-8-15-10-11/h3,5,8,10,12-13,16H,2,4,6-7,9H2,1H3
InChIKeyBJGHKXXINVBBFV-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)pyridine-3-sulfonamide
CID 45561177
rel-(1R,3S)-3-(2-aminoethoxy)-7-(3-pyridinylsulfonyl)-7-azaspiro[3.5]nonan-1-ol hydrochloride
CID 72883746
N~3~-(Tetrahydro-2H-pyran-4-ylmethyl)-3-pyridinesulfonamide
CID 110875682
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]pyridine-3-sulfonamide
CID 71969784
N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
CID 95970906
1-(2-methoxyethyl)-N-pyridin-3-ylsulfonylcyclobutane-1-carboxamide
CID 99714999
1,5-anhydro-2,3-dideoxy-4-O-methyl-3-[(pyridin-3-ylsulfonyl)amino]-L-threo-pentitol
CID 131940059
6-Cyano-n-{3-methoxyspiro[3.3]heptan-1-yl}-n-methylpyridine-3-sulfonamide
CID 136546441
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
CID 164637562
(3S)-3-methoxy-7-pyridin-3-ylsulfonyl-7-azaspiro[3.5]nonane
CID 164643311
6-methyl-4-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)-1,2,3-oxathiazinane 2,2-dioxide
CID 91862973
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide
CID 66211543

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide (CID 71997395) is N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide is CCOC1CC(NS(=O)(=O)c2cccnc2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide?
The InChIKey is BJGHKXXINVBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-19-13-9-12(14(13)6-4-7-14)16-20(17,18)11-5-3-8-15-10-11/h3,5,8,10,12-13,16H,2,4,6-7,9H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide?
N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71997395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).