N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide

C13H14ClN3O3S — CID 82905988

IUPACN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide
SMILESO=C1COc2cc(NC(=O)C3CSCCN3)c(Cl)cc2N1
InChIInChI=1S/C13H14ClN3O3S/c14-7-3-9-11(20-5-12(18)16-9)4-8(7)17-13(19)10-6-21-2-1-15-10/h3-4,10,15H,1-2,5-6H2,(H,16,18)(H,17,19)
InChIKeyYUVDORKGSSYYJZ-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.31
Rot. Bonds2

About N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide

N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide (PubChem CID 82905988) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide
PubChem CID82905988
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide
SMILESO=C1COc2cc(NC(=O)C3CSCCN3)c(Cl)cc2N1
InChIInChI=1S/C13H14ClN3O3S/c14-7-3-9-11(20-5-12(18)16-9)4-8(7)17-13(19)10-6-21-2-1-15-10/h3-4,10,15H,1-2,5-6H2,(H,16,18)(H,17,19)
InChIKeyYUVDORKGSSYYJZ-UHFFFAOYSA-N
XLogP1.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide 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

(2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-2-carboxamide
CID 61179096
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(E)-4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-4-oxobut-2-enoic acid
CID 60941243
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylpiperidine-3-carboxamide
CID 119944512
1-(4-chlorobenzoyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide
CID 43071997

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide (CID 82905988) is N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide is O=C1COc2cc(NC(=O)C3CSCCN3)c(Cl)cc2N1.
What is the InChIKey of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide?
The InChIKey is YUVDORKGSSYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c14-7-3-9-11(20-5-12(18)16-9)4-8(7)17-13(19)10-6-21-2-1-15-10/h3-4,10,15H,1-2,5-6H2,(H,16,18)(H,17,19).
What are the key properties of N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide?
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).