N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C15H21N3O2S — CID 106325257

IUPACN-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(NCCN1CCSCC1)c1cccc2c1OCCN2
InChIInChI=1S/C15H21N3O2S/c19-15(17-4-6-18-7-10-21-11-8-18)12-2-1-3-13-14(12)20-9-5-16-13/h1-3,16H,4-11H2,(H,17,19)
InChIKeyLHUUWURICBKQJD-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.27
Rot. Bonds4

About N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 106325257) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID106325257
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(NCCN1CCSCC1)c1cccc2c1OCCN2
InChIInChI=1S/C15H21N3O2S/c19-15(17-4-6-18-7-10-21-11-8-18)12-2-1-3-13-14(12)20-9-5-16-13/h1-3,16H,4-11H2,(H,17,19)
InChIKeyLHUUWURICBKQJD-UHFFFAOYSA-N
XLogP1.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
4-(3,4-dihydro-2H-1,4-benzoxazine-8-carbonylamino)-2-hydroxybutanoic acid
CID 107836065
N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106104945
N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 106325156
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114332154
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 106276424
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 119391345
2-methyl-N-(2-morpholin-4-ylethyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701832
(3,5-difluorophenyl)-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)methanone
CID 116610705
4-carbamothioyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325595
N-(thiatriazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 114912509

Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 106325257) is N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is O=C(NCCN1CCSCC1)c1cccc2c1OCCN2.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is LHUUWURICBKQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-15(17-4-6-18-7-10-21-11-8-18)12-2-1-3-13-14(12)20-9-5-16-13/h1-3,16H,4-11H2,(H,17,19).
What are the key properties of N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 106325257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).