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

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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).