4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C14H20N2O3S — CID 102884113

IUPAC4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1cccc2c1OCCN2
InChIInChI=1S/C14H20N2O3S/c1-11-10-20(17,18)8-6-16(11)9-12-3-2-4-13-14(12)19-7-5-15-13/h2-4,11,15H,5-10H2,1H3
InChIKeySCZOVACAQFUZBG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.11
Rot. Bonds2

About 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102884113) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102884113
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1Cc1cccc2c1OCCN2
InChIInChI=1S/C14H20N2O3S/c1-11-10-20(17,18)8-6-16(11)9-12-3-2-4-13-14(12)19-7-5-15-13/h2-4,11,15H,5-10H2,1H3
InChIKeySCZOVACAQFUZBG-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

8-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 83220695
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
CID 102882733
N-[[3-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 102886933
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 106587385
(3R)-3-methyl-4-[3-(2-methylphenyl)propyl]-1,4-thiazinane 1,1-dioxide
CID 97007589
1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,4-dimethylpiperazine
CID 154748269
2-[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]propanoic acid
CID 102884376
3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 102887157
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-one
CID 103935807
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 113461629
N-[2-(aminomethyl)phenyl]-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 102882853

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102884113) is 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1Cc1cccc2c1OCCN2.
What is the InChIKey of 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SCZOVACAQFUZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-10-20(17,18)8-6-16(11)9-12-3-2-4-13-14(12)19-7-5-15-13/h2-4,11,15H,5-10H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 296.39 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102884113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).