N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine

C14H23N3O2S — CID 63626896

IUPACN-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O2S/c1-3-15-14-7-6-13(11-16-14)20(18,19)17-9-4-5-12(2)8-10-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyKFKFYMPIZWNZHN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.32
Rot. Bonds4

About N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine

N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine (PubChem CID 63626896) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
PubChem CID63626896
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine
SMILESCCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cn1
InChIInChI=1S/C14H23N3O2S/c1-3-15-14-7-6-13(11-16-14)20(18,19)17-9-4-5-12(2)8-10-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16)
InChIKeyKFKFYMPIZWNZHN-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
1-[[6-(ethylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 55130406
N-ethyl-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62149616
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
1-(2-chloropyrimidin-5-yl)sulfonyl-4-methylazepane
CID 55249605
4-(4-methylazepan-1-yl)sulfonyl-N-propylaniline
CID 63626359
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 62146923
1-[[6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-3-ol
CID 62152207
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
CID 62149094
N-(2-cyclopentylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55566148

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine (CID 63626896) is N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine is CCNc1ccc(S(=O)(=O)N2CCCC(C)CC2)cn1.
What is the InChIKey of N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
The InChIKey is KFKFYMPIZWNZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-15-14-7-6-13(11-16-14)20(18,19)17-9-4-5-12(2)8-10-17/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine?
N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine has a molecular weight of 297.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methylazepan-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 63626896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).