1-(2-methylsulfonylethyl)azepan-3-amine

C9H20N2O2S — CID 84686145

IUPAC1-(2-methylsulfonylethyl)azepan-3-amine
SMILESCS(=O)(=O)CCN1CCCCC(N)C1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)7-6-11-5-3-2-4-9(10)8-11/h9H,2-8,10H2,1H3
InChIKeyJGHZTDPDCAKMAF-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.16
Rot. Bonds3

About 1-(2-methylsulfonylethyl)azepan-3-amine

1-(2-methylsulfonylethyl)azepan-3-amine (PubChem CID 84686145) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)azepan-3-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)azepan-3-amine
PubChem CID84686145
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(2-methylsulfonylethyl)azepan-3-amine
SMILESCS(=O)(=O)CCN1CCCCC(N)C1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)7-6-11-5-3-2-4-9(10)8-11/h9H,2-8,10H2,1H3
InChIKeyJGHZTDPDCAKMAF-UHFFFAOYSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylsulfonylethyl)piperidin-3-yl]ethanone
CID 63847030
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
1-(cycloheptylmethyl)-4-(2-methylsulfonylethyl)piperazine
CID 75507205
3-[(4-methylpiperidin-1-yl)methyl]-1-(2-methylsulfonylethyl)piperidine
CID 122132509
3-(2-bromoethyl)-1-(2-methylsulfonylethyl)pyrrolidine
CID 114800434
2-[3-(aminomethyl)piperidin-1-yl]ethanesulfonamide
CID 114385443
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-(2-bromoethyl)piperidin-3-amine
CID 130905726
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(2-methylsulfonylethyl)piperidine
CID 119066922
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanone
CID 63846320
3-methyl-1-(2-methylsulfonylethyl)piperazine
CID 64833986
1-(3-cyclohexylpropyl)piperidin-3-amine
CID 102550649

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)azepan-3-amine?
The IUPAC name of 1-(2-methylsulfonylethyl)azepan-3-amine (CID 84686145) is 1-(2-methylsulfonylethyl)azepan-3-amine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)azepan-3-amine?
The canonical SMILES for 1-(2-methylsulfonylethyl)azepan-3-amine is CS(=O)(=O)CCN1CCCCC(N)C1.
What is the InChIKey of 1-(2-methylsulfonylethyl)azepan-3-amine?
The InChIKey is JGHZTDPDCAKMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)7-6-11-5-3-2-4-9(10)8-11/h9H,2-8,10H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)azepan-3-amine?
1-(2-methylsulfonylethyl)azepan-3-amine has a molecular weight of 220.34 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)azepan-3-amine is sourced from PubChem (CID 84686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).