(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H21N3O3S — CID 97421986

IUPAC(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COCC3CC3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-10-13-14-7-12(9-19-8-11-3-4-11)15(13)5-6-16(10)20(2,17)18/h7,10-11H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyDFGNETNHPIXPDN-JTQLQIEISA-N
MW299.40 g/mol
LogP1.15
Rot. Bonds5

About (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97421986) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97421986
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COCC3CC3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-10-13-14-7-12(9-19-8-11-3-4-11)15(13)5-6-16(10)20(2,17)18/h7,10-11H,3-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyDFGNETNHPIXPDN-JTQLQIEISA-N
XLogP1.15
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97421986) is (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C[C@H]1c2ncc(COCC3CC3)n2CCN1S(C)(=O)=O.
What is the InChIKey of (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is DFGNETNHPIXPDN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-13-14-7-12(9-19-8-11-3-4-11)15(13)5-6-16(10)20(2,17)18/h7,10-11H,3-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 299.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-(cyclopropylmethoxymethyl)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97421986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).