1-benzylsulfonylazepan-2-amine

C13H20N2O2S — CID 64560148

IUPAC1-benzylsulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c14-13-9-5-2-6-10-15(13)18(16,17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11,14H2
InChIKeyFTLBJBAHLACFHF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.68
Rot. Bonds3

About 1-benzylsulfonylazepan-2-amine

1-benzylsulfonylazepan-2-amine (PubChem CID 64560148) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-benzylsulfonylazepan-2-amine.

Molecular Properties

Compound Name1-benzylsulfonylazepan-2-amine
PubChem CID64560148
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-benzylsulfonylazepan-2-amine
SMILESNC1CCCCCN1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O2S/c14-13-9-5-2-6-10-15(13)18(16,17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11,14H2
InChIKeyFTLBJBAHLACFHF-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzylsulfonyl-2-(2-chlorophenyl)azepane
CID 95079061
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
1-(1-benzylsulfonylazepan-2-yl)propan-2-one
CID 79541444
(2S)-1-benzylsulfonyl-2-thiophen-2-ylazepane
CID 92502875
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854553
(2R)-1-benzylpiperidin-2-amine
CID 97050484
2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
CID 99817986
1-(benzenesulfonyl)pyrrolidin-2-amine
CID 19623298
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677
(1S)-2-benzylsulfonyl-1-cyclodecyl-3,4-dihydro-1H-isoquinoline
CID 139513403

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonylazepan-2-amine?
The IUPAC name of 1-benzylsulfonylazepan-2-amine (CID 64560148) is 1-benzylsulfonylazepan-2-amine.
What is the SMILES notation for 1-benzylsulfonylazepan-2-amine?
The canonical SMILES for 1-benzylsulfonylazepan-2-amine is NC1CCCCCN1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfonylazepan-2-amine?
The InChIKey is FTLBJBAHLACFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-13-9-5-2-6-10-15(13)18(16,17)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11,14H2.
What are the key properties of 1-benzylsulfonylazepan-2-amine?
1-benzylsulfonylazepan-2-amine has a molecular weight of 268.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonylazepan-2-amine is sourced from PubChem (CID 64560148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).