(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide

C12H20N4O4S — CID 137052917

IUPAC(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O4S/c1-15(2)21(18,19)16-5-6-20-11(8-16)4-3-10-7-12(17)14-9-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,13,14,17)/t11-/m0/s1
InChIKeyNOMVJJMAHYFNRN-NSHDSACASA-N
MW316.38 g/mol
LogP-0.79
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide

(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide (PubChem CID 137052917) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide
PubChem CID137052917
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C12H20N4O4S/c1-15(2)21(18,19)16-5-6-20-11(8-16)4-3-10-7-12(17)14-9-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,13,14,17)/t11-/m0/s1
InChIKeyNOMVJJMAHYFNRN-NSHDSACASA-N
XLogP-0.79
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide (CID 137052917) is (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide?
The InChIKey is NOMVJJMAHYFNRN-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15(2)21(18,19)16-5-6-20-11(8-16)4-3-10-7-12(17)14-9-13-10/h7,9,11H,3-6,8H2,1-2H3,(H,13,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide?
(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 137052917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).