5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine

C11H17N3O3S — CID 62968539

IUPAC5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2ccc(N)nc2)CCCO1
InChIInChI=1S/C11H17N3O3S/c1-9-8-14(5-2-6-17-9)18(15,16)10-3-4-11(12)13-7-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyLZFGBMAGUQCKSR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.46
Rot. Bonds2

About 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine

5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine (PubChem CID 62968539) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
PubChem CID62968539
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine
SMILESCC1CN(S(=O)(=O)c2ccc(N)nc2)CCCO1
InChIInChI=1S/C11H17N3O3S/c1-9-8-14(5-2-6-17-9)18(15,16)10-3-4-11(12)13-7-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,12,13)
InChIKeyLZFGBMAGUQCKSR-UHFFFAOYSA-N
XLogP0.46
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939
[5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyrimidin-2-yl]hydrazine
CID 62967611
2-fluoro-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62986535
4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenol
CID 62968856
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-methyl-1,4-oxazepane
CID 64608037
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)pyridin-2-amine
CID 62147207
1-[4-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]phenyl]ethanol
CID 62967994
[5-(2-methylmorpholin-4-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61328325
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663
5-chloro-2-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 55152567
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The IUPAC name of 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine (CID 62968539) is 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine is CC1CN(S(=O)(=O)c2ccc(N)nc2)CCCO1.
What is the InChIKey of 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
The InChIKey is LZFGBMAGUQCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-8-14(5-2-6-17-9)18(15,16)10-3-4-11(12)13-7-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine?
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine has a molecular weight of 271.34 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]pyridin-2-amine is sourced from PubChem (CID 62968539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).