7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one

C14H18N2OS — CID 116994341

IUPAC7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one
SMILESNC1CCC(c2ccc3c(c2)SCC(=O)N3)CC1
InChIInChI=1S/C14H18N2OS/c15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)18-8-14(17)16-12/h3,6-7,9,11H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyVWRMXSFIFALQSR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.72
Rot. Bonds1

About 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one

7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one (PubChem CID 116994341) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one
PubChem CID116994341
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one
SMILESNC1CCC(c2ccc3c(c2)SCC(=O)N3)CC1
InChIInChI=1S/C14H18N2OS/c15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)18-8-14(17)16-12/h3,6-7,9,11H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyVWRMXSFIFALQSR-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-aminocyclohexyl)-4H-1,4-benzoxazin-3-one
CID 116994727
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
CID 79461552
(3-oxo-4H-1,4-benzothiazin-7-yl)boronic acid
CID 91756091
7-(bromomethyl)-4H-1,4-benzothiazin-3-one
CID 116998901
3-amino-N-(3-oxo-4H-1,4-benzothiazin-6-yl)cyclopentane-1-carboxamide
CID 66008736
7-(1-amino-2-methylpropan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116994315
2-amino-2-(3-oxo-4H-1,4-benzothiazin-7-yl)acetic acid
CID 116994382
7-(3-methylbutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 163528118
5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
7-(1-amino-3-methylbutan-2-yl)-4H-1,4-benzothiazin-3-one
CID 116994407
3-(3-oxo-4H-1,4-benzothiazin-7-yl)oxetane-3-carboxylic acid
CID 116994399
6-iodo-4H-1,4-benzothiazin-3-one
CID 90281504

Frequently Asked Questions

What is the IUPAC name of 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one (CID 116994341) is 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one is NC1CCC(c2ccc3c(c2)SCC(=O)N3)CC1.
What is the InChIKey of 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one?
The InChIKey is VWRMXSFIFALQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c15-11-4-1-9(2-5-11)10-3-6-12-13(7-10)18-8-14(17)16-12/h3,6-7,9,11H,1-2,4-5,8,15H2,(H,16,17).
What are the key properties of 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one?
7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one has a molecular weight of 262.38 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminocyclohexyl)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 116994341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).