N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine

C12H19N3O3S — CID 62966962

IUPACN-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
SMILESCNc1ncccc1S(=O)(=O)N1CCCOC(C)C1
InChIInChI=1S/C12H19N3O3S/c1-10-9-15(7-4-8-18-10)19(16,17)11-5-3-6-14-12(11)13-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,13,14)
InChIKeyJFTXQBPGPGVRRC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.92
Rot. Bonds3

About N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine

N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine (PubChem CID 62966962) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
PubChem CID62966962
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
SMILESCNc1ncccc1S(=O)(=O)N1CCCOC(C)C1
InChIInChI=1S/C12H19N3O3S/c1-10-9-15(7-4-8-18-10)19(16,17)11-5-3-6-14-12(11)13-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,13,14)
InChIKeyJFTXQBPGPGVRRC-UHFFFAOYSA-N
XLogP0.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
3-(3-ethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 62146476
N-methyl-2-(2-methylmorpholin-4-yl)sulfonylpyridin-3-amine
CID 103303771
N-methyl-3-(3-methylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 62146970
N-ethyl-3-(3-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62148841
3-(4-ethylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 55044035
4-[[2-(methylamino)-3-pyridinyl]sulfonyl]piperazin-2-one
CID 62144746
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 82753381
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
2-[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1,4-diazepan-1-yl]ethanol
CID 107226271
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The IUPAC name of N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine (CID 62966962) is N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine is CNc1ncccc1S(=O)(=O)N1CCCOC(C)C1.
What is the InChIKey of N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The InChIKey is JFTXQBPGPGVRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-9-15(7-4-8-18-10)19(16,17)11-5-3-6-14-12(11)13-2/h3,5-6,10H,4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine is sourced from PubChem (CID 62966962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).