1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C15H22N2O3S — CID 114335926

IUPAC1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESNC1CCCN(S(=O)(=O)CC2CCCO2)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c16-14-7-3-9-17(15-8-2-1-6-13(14)15)21(18,19)11-12-5-4-10-20-12/h1-2,6,8,12,14H,3-5,7,9-11,16H2
InChIKeySVUYGFFCPVPDQQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.80
Rot. Bonds3

About 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine

1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335926) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335926
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESNC1CCCN(S(=O)(=O)CC2CCCO2)c2ccccc21
InChIInChI=1S/C15H22N2O3S/c16-14-7-3-9-17(15-8-2-1-6-13(14)15)21(18,19)11-12-5-4-10-20-12/h1-2,6,8,12,14H,3-5,7,9-11,16H2
InChIKeySVUYGFFCPVPDQQ-UHFFFAOYSA-N
XLogP1.80
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(oxolan-2-yl)ethanone
CID 114335682
5-amino-N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-sulfonamide
CID 114803243
1-(oxolan-2-ylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456010
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335905
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole
CID 124721230
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-4-(trifluoromethyl)-2,3-dihydroindole
CID 99822343
2-[(4-bromophenyl)sulfonylmethyl]oxolane
CID 15474559

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335926) is 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is NC1CCCN(S(=O)(=O)CC2CCCO2)c2ccccc21.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is SVUYGFFCPVPDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c16-14-7-3-9-17(15-8-2-1-6-13(14)15)21(18,19)11-12-5-4-10-20-12/h1-2,6,8,12,14H,3-5,7,9-11,16H2.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 310.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).