2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride

C7H13ClN2O3S — CID 23566514

IUPAC2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
SMILESCN1CCCN(CCS(=O)(=O)Cl)C1=O
InChIInChI=1S/C7H13ClN2O3S/c1-9-3-2-4-10(7(9)11)5-6-14(8,12)13/h2-6H2,1H3
InChIKeyMJMDPVVZTBLNME-UHFFFAOYSA-N
MW240.71 g/mol
LogP0.31
Rot. Bonds3

About 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride

2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride (PubChem CID 23566514) has the molecular formula C7H13ClN2O3S and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
PubChem CID23566514
Molecular FormulaC7H13ClN2O3S
Molecular Weight240.71 g/mol
Exact Mass240.03
IUPAC Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride
SMILESCN1CCCN(CCS(=O)(=O)Cl)C1=O
InChIInChI=1S/C7H13ClN2O3S/c1-9-3-2-4-10(7(9)11)5-6-14(8,12)13/h2-6H2,1H3
InChIKeyMJMDPVVZTBLNME-UHFFFAOYSA-N
XLogP0.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloropropyl)-3-methyl-1,3-diazinan-2-one
CID 130722720
1-(2-aminopropyl)-3-methyl-1,3-diazinan-2-one
CID 83816294
1-(2-hydroxy-2-methylpropyl)-3-methyl-1,3-diazinan-2-one
CID 83817589
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
1-[(2-chloro-1,3-thiazol-4-yl)methyl]-3-methyl-1,3-diazinan-2-one
CID 130774576
zinc;1,3-dimethyl-1,3-diazinan-2-one;bis(trifluoromethane)
CID 162405656
1-(3-aminopropyl)-3-methylimidazolidin-2-one
CID 59225431
1-(iodomethyl)-3-methylimidazolidin-2-one
CID 142188205
1-[(3-bromo-1,2-oxazol-5-yl)methyl]-3-methyl-1,3-diazinan-2-one
CID 131076766
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 171846505

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride (CID 23566514) is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride is CN1CCCN(CCS(=O)(=O)Cl)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride?
The InChIKey is MJMDPVVZTBLNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O3S/c1-9-3-2-4-10(7(9)11)5-6-14(8,12)13/h2-6H2,1H3.
What are the key properties of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride?
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride has a molecular weight of 240.71 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 23566514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).