N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

C14H22N2O2S — CID 114335951

IUPACN-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(S(=O)(=O)C(C)C)c2ccccc21
InChIInChI=1S/C14H22N2O2S/c1-11(2)19(17,18)16-10-6-8-13(15-3)12-7-4-5-9-14(12)16/h4-5,7,9,11,13,15H,6,8,10H2,1-3H3
InChIKeyYRSDGWAWOCYCQP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine

N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (PubChem CID 114335951) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
PubChem CID114335951
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
SMILESCNC1CCCN(S(=O)(=O)C(C)C)c2ccccc21
InChIInChI=1S/C14H22N2O2S/c1-11(2)19(17,18)16-10-6-8-13(15-3)12-7-4-5-9-14(12)16/h4-5,7,9,11,13,15H,6,8,10H2,1-3H3
InChIKeyYRSDGWAWOCYCQP-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
CID 114336292
1-(3-methoxypropylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335936
1-(1H-imidazol-5-ylsulfonyl)-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335947
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
methyl 2-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]propanoate
CID 114337510
N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
1-(cyclopropylmethylsulfonyl)-N-ethyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335958
(2R)-N,N-dimethyl-2-[[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]sulfonyl]propanamide
CID 100686059
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine (CID 114335951) is N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is CNC1CCCN(S(=O)(=O)C(C)C)c2ccccc21.
What is the InChIKey of N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
The InChIKey is YRSDGWAWOCYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)19(17,18)16-10-6-8-13(15-3)12-7-4-5-9-14(12)16/h4-5,7,9,11,13,15H,6,8,10H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine?
N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine has a molecular weight of 282.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine is sourced from PubChem (CID 114335951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).