5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine

C11H16BrN3O2S2 — CID 62152979

IUPAC5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C11H16BrN3O2S2/c1-13-11-10(7-9(12)8-14-11)19(16,17)15-3-2-5-18-6-4-15/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyKUKPMDVTAZUWEM-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.01
Rot. Bonds3

About 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine

5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine (PubChem CID 62152979) has the molecular formula C11H16BrN3O2S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
PubChem CID62152979
Molecular FormulaC11H16BrN3O2S2
Molecular Weight366.31 g/mol
Exact Mass364.99
IUPAC Name5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C11H16BrN3O2S2/c1-13-11-10(7-9(12)8-14-11)19(16,17)15-3-2-5-18-6-4-15/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyKUKPMDVTAZUWEM-UHFFFAOYSA-N
XLogP2.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 107458860
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
5-bromo-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63616444
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
1-[(5-bromo-2-hydrazinyl-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 61298550
5-bromo-N-ethyl-3-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
CID 63626897
[5-bromo-3-(4-ethylpiperazin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61301039
5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethylpyridin-2-amine
CID 62147186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine (CID 62152979) is 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine is CNc1ncc(Br)cc1S(=O)(=O)N1CCCSCC1.
What is the InChIKey of 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
The InChIKey is KUKPMDVTAZUWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S2/c1-13-11-10(7-9(12)8-14-11)19(16,17)15-3-2-5-18-6-4-15/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine?
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine has a molecular weight of 366.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine is sourced from PubChem (CID 62152979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).