N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide

C17H25N3O4S — CID 91916198

IUPACN-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-25(22,23)20(16-6-11-24-12-7-16)15-4-9-19(10-5-15)17(21)14-3-2-8-18-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3
InChIKeyGWQVJVPNDWYHEQ-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.13
Rot. Bonds4

About N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide

N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide (PubChem CID 91916198) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
PubChem CID91916198
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N3O4S/c1-25(22,23)20(16-6-11-24-12-7-16)15-4-9-19(10-5-15)17(21)14-3-2-8-18-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3
InChIKeyGWQVJVPNDWYHEQ-UHFFFAOYSA-N
XLogP1.13
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
4-[cyclobutyl(methylsulfonyl)amino]-N-pyridin-3-ylazepane-1-carboxamide
CID 129004395
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
N-cyclobutyl-N-[(4R)-1-(3-methylbenzoyl)azepan-4-yl]methanesulfonamide
CID 129333224
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925525

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide (CID 91916198) is N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)N(C1CCOCC1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is GWQVJVPNDWYHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-25(22,23)20(16-6-11-24-12-7-16)15-4-9-19(10-5-15)17(21)14-3-2-8-18-13-14/h2-3,8,13,15-16H,4-7,9-12H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide?
N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 91916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).