6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one

C14H18N2O2S — CID 106593973

IUPAC6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(NC3CCC(O)CC3)cc2N1
InChIInChI=1S/C14H18N2O2S/c17-11-4-1-9(2-5-11)15-10-3-6-13-12(7-10)16-14(18)8-19-13/h3,6-7,9,11,15,17H,1-2,4-5,8H2,(H,16,18)
InChIKeyCJRBUBVHSYRPLK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds2

About 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one

6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one (PubChem CID 106593973) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
PubChem CID106593973
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccc(NC3CCC(O)CC3)cc2N1
InChIInChI=1S/C14H18N2O2S/c17-11-4-1-9(2-5-11)15-10-3-6-13-12(7-10)16-14(18)8-19-13/h3,6-7,9,11,15,17H,1-2,4-5,8H2,(H,16,18)
InChIKeyCJRBUBVHSYRPLK-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-propan-2-ylcyclohexyl)amino]-4H-1,4-benzothiazin-3-one
CID 62703701
6-[(3-aminocyclopentyl)amino]-4H-1,4-benzothiazin-3-one
CID 79461552
6-[(4-ethylcycloheptyl)amino]-4H-1,4-benzothiazin-3-one
CID 65084450
6-[(1-propylpiperidin-4-yl)amino]-4H-1,4-benzothiazin-3-one
CID 43723132
6-[2-(cyclopropylamino)ethylamino]-4H-1,4-benzothiazin-3-one
CID 115206766
2-(cyclopentylamino)-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 60850681
6-(ethylamino)-4H-1,4-benzothiazin-3-one
CID 43229079
6-(sulfanylmethylamino)-4H-1,4-benzothiazin-3-one
CID 115227650
N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-3-carboxamide
CID 63006250
2,2-difluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 113219045
1-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-phenylurea
CID 31772262
2-amino-2-cyclopropyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)propanamide
CID 60867171

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one (CID 106593973) is 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one is O=C1CSc2ccc(NC3CCC(O)CC3)cc2N1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
The InChIKey is CJRBUBVHSYRPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-11-4-1-9(2-5-11)15-10-3-6-13-12(7-10)16-14(18)8-19-13/h3,6-7,9,11,15,17H,1-2,4-5,8H2,(H,16,18).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one?
6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one has a molecular weight of 278.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 106593973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).