3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide

C9H11BrN2OS — CID 13375145

IUPAC3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide
SMILESBr.NC1CSc2ccccc2NC1=O
InChIInChI=1S/C9H10N2OS.BrH/c10-6-5-13-8-4-2-1-3-7(8)11-9(6)12;/h1-4,6H,5,10H2,(H,11,12);1H
InChIKeyBWZSCKDKYMMZHK-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.64
Rot. Bonds

About 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide

3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide (PubChem CID 13375145) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide.

Molecular Properties

Compound Name3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide
PubChem CID13375145
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide
SMILESBr.NC1CSc2ccccc2NC1=O
InChIInChI=1S/C9H10N2OS.BrH/c10-6-5-13-8-4-2-1-3-7(8)11-9(6)12;/h1-4,6H,5,10H2,(H,11,12);1H
InChIKeyBWZSCKDKYMMZHK-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

(3S)-3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10910414
3-amino-3,4-dihydro-1H-quinolin-2-one;hydroiodide
CID 17234022
tert-butyl N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
CID 11185493
2-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102574709
N-[(4-fluorophenyl)methyl]-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide
CID 92730629
2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)amino]-4-phenylbutanoic acid
CID 13375148
3-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
CID 22312377
(3-oxo-4H-1,4-benzothiazin-2-yl)phosphonic acid
CID 174507583
3-(3-amino-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-9-yl)benzonitrile
CID 76575992
spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099051
N-(2,3-dimethylphenyl)-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide
CID 92730645
5-benzyl-N-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557093

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide?
The IUPAC name of 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide (CID 13375145) is 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide.
What is the SMILES notation for 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide?
The canonical SMILES for 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide is Br.NC1CSc2ccccc2NC1=O.
What is the InChIKey of 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide?
The InChIKey is BWZSCKDKYMMZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS.BrH/c10-6-5-13-8-4-2-1-3-7(8)11-9(6)12;/h1-4,6H,5,10H2,(H,11,12);1H.
What are the key properties of 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide?
3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide has a molecular weight of 275.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrobromide is sourced from PubChem (CID 13375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).