2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine

C12H22N4O3S — CID 106062063

IUPAC2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
SMILESCNCCCN(C)S(=O)(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H22N4O3S/c1-13-6-4-8-16(2)20(17,18)15-10-11-5-7-14-12(9-11)19-3/h5,7,9,13,15H,4,6,8,10H2,1-3H3
InChIKeyOZRYWJWTMQFTPM-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.03
Rot. Bonds9

About 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine

2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine (PubChem CID 106062063) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
PubChem CID106062063
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
SMILESCNCCCN(C)S(=O)(=O)NCc1ccnc(OC)c1
InChIInChI=1S/C12H22N4O3S/c1-13-6-4-8-16(2)20(17,18)15-10-11-5-7-14-12(9-11)19-3/h5,7,9,13,15H,4,6,8,10H2,1-3H3
InChIKeyOZRYWJWTMQFTPM-UHFFFAOYSA-N
XLogP-0.03
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methoxypyridine
CID 112739513
1-methoxy-3-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]benzene
CID 106087668
2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
CID 47065062
4-[[[2-methoxyethyl(methyl)sulfamoyl]amino]methyl]-2-(4-methylcyclohexyl)oxypyridine
CID 75464073
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine?
The IUPAC name of 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine (CID 106062063) is 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine.
What is the SMILES notation for 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine?
The canonical SMILES for 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine is CNCCCN(C)S(=O)(=O)NCc1ccnc(OC)c1.
What is the InChIKey of 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine?
The InChIKey is OZRYWJWTMQFTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-13-6-4-8-16(2)20(17,18)15-10-11-5-7-14-12(9-11)19-3/h5,7,9,13,15H,4,6,8,10H2,1-3H3.
What are the key properties of 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine?
2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine has a molecular weight of 302.40 g/mol, XLogP of -0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine is sourced from PubChem (CID 106062063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).