N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide

C12H19N3O3S — CID 124988461

IUPACN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
SMILESC[C@@]1(c2ncc(CNS(C)(=O)=O)cn2)CCCCO1
InChIInChI=1S/C12H19N3O3S/c1-12(5-3-4-6-18-12)11-13-7-10(8-14-11)9-15-19(2,16)17/h7-8,15H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyOMZGDIOYXCOPNY-LBPRGKRZSA-N
MW285.37 g/mol
LogP0.94
Rot. Bonds4

About N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide

N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide (PubChem CID 124988461) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
PubChem CID124988461
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
SMILESC[C@@]1(c2ncc(CNS(C)(=O)=O)cn2)CCCCO1
InChIInChI=1S/C12H19N3O3S/c1-12(5-3-4-6-18-12)11-13-7-10(8-14-11)9-15-19(2,16)17/h7-8,15H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyOMZGDIOYXCOPNY-LBPRGKRZSA-N
XLogP0.94
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide (CID 124988461) is N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide is C[C@@]1(c2ncc(CNS(C)(=O)=O)cn2)CCCCO1.
What is the InChIKey of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide?
The InChIKey is OMZGDIOYXCOPNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(5-3-4-6-18-12)11-13-7-10(8-14-11)9-15-19(2,16)17/h7-8,15H,3-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide?
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 124988461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).