6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide

C12H16N4O3S — CID 115602812

IUPAC6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H16N4O3S/c1-16-4-5-19-11(9-16)7-15-20(17,18)12-3-2-10(6-13)14-8-12/h2-3,8,11,15H,4-5,7,9H2,1H3
InChIKeyFMZFERZYDHLWPV-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.44
Rot. Bonds4

About 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide

6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 115602812) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID115602812
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2ccc(C#N)nc2)C1
InChIInChI=1S/C12H16N4O3S/c1-16-4-5-19-11(9-16)7-15-20(17,18)12-3-2-10(6-13)14-8-12/h2-3,8,11,15H,4-5,7,9H2,1H3
InChIKeyFMZFERZYDHLWPV-UHFFFAOYSA-N
XLogP-0.44
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Morpholinosulfonyl)pyridine
CID 4276436
N-ethyl-4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901908
4-{2-[1-(3-Pyridinylsulfonyl)-2-piperidinyl]ethyl}morpholine
CID 70720389
N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2738789
N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
CID 95970906
5-cyano-6-methyl-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 121554312
N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-3-sulfonamide
CID 124606112
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-3-sulfonamide
CID 126810877
N-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 129614595
1,5-anhydro-2,3-dideoxy-4-O-methyl-3-[(pyridin-3-ylsulfonyl)amino]-L-threo-pentitol
CID 131940059
3-[(4-Methoxy-4-methylpiperidin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 132373025

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide (CID 115602812) is 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide is CN1CCOC(CNS(=O)(=O)c2ccc(C#N)nc2)C1.
What is the InChIKey of 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is FMZFERZYDHLWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-16-4-5-19-11(9-16)7-15-20(17,18)12-3-2-10(6-13)14-8-12/h2-3,8,11,15H,4-5,7,9H2,1H3.
What are the key properties of 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115602812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).