N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide

C11H18N4O4S — CID 136844285

IUPACN,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
SMILESCc1cc(=O)[nH]c(C2CN(S(=O)(=O)N(C)C)CCO2)n1
InChIInChI=1S/C11H18N4O4S/c1-8-6-10(16)13-11(12-8)9-7-15(4-5-19-9)20(17,18)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyBUSOZSHCACLDRA-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.74
Rot. Bonds3

About N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide

N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide (PubChem CID 136844285) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
PubChem CID136844285
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide
SMILESCc1cc(=O)[nH]c(C2CN(S(=O)(=O)N(C)C)CCO2)n1
InChIInChI=1S/C11H18N4O4S/c1-8-6-10(16)13-11(12-8)9-7-15(4-5-19-9)20(17,18)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyBUSOZSHCACLDRA-UHFFFAOYSA-N
XLogP-0.74
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137052887
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137140127
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137168467
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
N,N-dimethyl-2-(2-methylpyrimidin-4-yl)morpholine-4-sulfonamide
CID 110096221
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
4-methyl-2-[(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140130
4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140131

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide (CID 136844285) is N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide is Cc1cc(=O)[nH]c(C2CN(S(=O)(=O)N(C)C)CCO2)n1.
What is the InChIKey of N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide?
The InChIKey is BUSOZSHCACLDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-8-6-10(16)13-11(12-8)9-7-15(4-5-19-9)20(17,18)14(2)3/h6,9H,4-5,7H2,1-3H3,(H,12,13,16).
What are the key properties of N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide?
N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 136844285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).