N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

C8H13N3O3S — CID 75367247

IUPACN-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1Cn2ccnc2CO1
InChIInChI=1S/C8H13N3O3S/c1-15(12,13)10-4-7-5-11-3-2-9-8(11)6-14-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1
InChIKeyAMDVQUUPMQFHNB-ZETCQYMHSA-N
MW231.28 g/mol
LogP-0.67
Rot. Bonds3

About N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide

N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (PubChem CID 75367247) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
PubChem CID75367247
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC NameN-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@H]1Cn2ccnc2CO1
InChIInChI=1S/C8H13N3O3S/c1-15(12,13)10-4-7-5-11-3-2-9-8(11)6-14-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1
InChIKeyAMDVQUUPMQFHNB-ZETCQYMHSA-N
XLogP-0.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide (CID 75367247) is N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@H]1Cn2ccnc2CO1.
What is the InChIKey of N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
The InChIKey is AMDVQUUPMQFHNB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-15(12,13)10-4-7-5-11-3-2-9-8(11)6-14-7/h2-3,7,10H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide?
N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide has a molecular weight of 231.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 75367247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).