7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one

C14H20N2OS — CID 116994662

IUPAC7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one
SMILESCC(N)CCc1ccc2c(c1)SC(C)C(=O)N2C
InChIInChI=1S/C14H20N2OS/c1-9(15)4-5-11-6-7-12-13(8-11)18-10(2)14(17)16(12)3/h6-10H,4-5,15H2,1-3H3
InChIKeyHNLKKMFYRTUYAB-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.42
Rot. Bonds3

About 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one

7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one (PubChem CID 116994662) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one
PubChem CID116994662
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one
SMILESCC(N)CCc1ccc2c(c1)SC(C)C(=O)N2C
InChIInChI=1S/C14H20N2OS/c1-9(15)4-5-11-6-7-12-13(8-11)18-10(2)14(17)16(12)3/h6-10H,4-5,15H2,1-3H3
InChIKeyHNLKKMFYRTUYAB-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2,4-dimethyl-1,4-benzothiazin-3-one
CID 116994710
7-(2-hydroxypropan-2-yl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 116994693
6-(3-aminobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 82475924
6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 115259519
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524
6-acetyl-2,4-dimethyl-1,4-benzothiazin-3-one
CID 82097058
6-(2-aminoethyl)-2-methyl-3-oxo-1,4-benzothiazine-4-carbonyl bromide
CID 115193965
6-(3-aminobutyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82475931
6-(aminomethyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115216197
2-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615525
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one?
The IUPAC name of 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one (CID 116994662) is 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one is CC(N)CCc1ccc2c(c1)SC(C)C(=O)N2C.
What is the InChIKey of 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one?
The InChIKey is HNLKKMFYRTUYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9(15)4-5-11-6-7-12-13(8-11)18-10(2)14(17)16(12)3/h6-10H,4-5,15H2,1-3H3.
What are the key properties of 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one?
7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one has a molecular weight of 264.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminobutyl)-2,4-dimethyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 116994662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).