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

C12H20N4O3S — CID 79071689

IUPAC6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2CN(C)CCO2)cn1
InChIInChI=1S/C12H20N4O3S/c1-13-12-4-3-11(8-14-12)20(17,18)15-7-10-9-16(2)5-6-19-10/h3-4,8,10,15H,5-7,9H2,1-2H3,(H,13,14)
InChIKeyNTPIVYKBLRCNRM-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.27
Rot. Bonds5

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

6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 79071689) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID79071689
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ccc(S(=O)(=O)NCC2CN(C)CCO2)cn1
InChIInChI=1S/C12H20N4O3S/c1-13-12-4-3-11(8-14-12)20(17,18)15-7-10-9-16(2)5-6-19-10/h3-4,8,10,15H,5-7,9H2,1-2H3,(H,13,14)
InChIKeyNTPIVYKBLRCNRM-UHFFFAOYSA-N
XLogP-0.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyano-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide
CID 115602812
N-ethyl-6-[(4-methylmorpholin-2-yl)methylamino]-N-phenylpyridine-3-sulfonamide
CID 133280991
N-[(4-ethylcyclohexyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62152225
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
3-[(4-methylmorpholin-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 79083016
N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 63274885
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
6-(methylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62158685
N-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 81040530

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide (CID 79071689) is 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide is CNc1ccc(S(=O)(=O)NCC2CN(C)CCO2)cn1.
What is the InChIKey of 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is NTPIVYKBLRCNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-13-12-4-3-11(8-14-12)20(17,18)15-7-10-9-16(2)5-6-19-10/h3-4,8,10,15H,5-7,9H2,1-2H3,(H,13,14).
What are the key properties of 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide?
6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 79071689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).