3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine

C13H21N3O3S — CID 62966790

IUPAC3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1CCCOCC1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13-12(5-3-7-15-13)20(17,18)16-8-4-10-19-11-9-16/h3,5,7H,2,4,6,8-11H2,1H3,(H,14,15)
InChIKeyKGGYRNJRKSNQTH-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.31
Rot. Bonds5

About 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine

3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine (PubChem CID 62966790) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
PubChem CID62966790
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1S(=O)(=O)N1CCCOCC1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13-12(5-3-7-15-13)20(17,18)16-8-4-10-19-11-9-16/h3,5,7H,2,4,6,8-11H2,1H3,(H,14,15)
InChIKeyKGGYRNJRKSNQTH-UHFFFAOYSA-N
XLogP1.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azocan-1-ylsulfonyl)-N-propylpyridin-2-amine
CID 62150305
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-N-propylpyridin-2-amine
CID 115561614
3-(2-methylmorpholin-4-yl)sulfonyl-N-propylpyridin-2-amine
CID 62149023
2-[(3-piperidin-1-ylsulfonyl-2-pyridinyl)amino]-N-propylacetamide
CID 133383079
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133390540
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-N-propylpyridin-2-amine
CID 104968712
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043901
N-ethyl-3-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148584
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
N-(2-cycloheptyloxyethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308692
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine (CID 62966790) is 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine is CCCNc1ncccc1S(=O)(=O)N1CCCOCC1.
What is the InChIKey of 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine?
The InChIKey is KGGYRNJRKSNQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-6-14-13-12(5-3-7-15-13)20(17,18)16-8-4-10-19-11-9-16/h3,5,7H,2,4,6,8-11H2,1H3,(H,14,15).
What are the key properties of 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine?
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62966790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).