(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

C18H25N3O2S — CID 99854592

IUPAC(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CCc3nc(C)cn3C2)cc1
InChIInChI=1S/C18H25N3O2S/c1-13-4-7-17(8-5-13)24(22,23)12-15(3)19-16-6-9-18-20-14(2)10-21(18)11-16/h4-5,7-8,10,15-16,19H,6,9,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyDGRXODPOKJJDIO-HZPDHXFCSA-N
MW347.48 g/mol
LogP2.27
Rot. Bonds5

About (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 99854592) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID99854592
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CCc3nc(C)cn3C2)cc1
InChIInChI=1S/C18H25N3O2S/c1-13-4-7-17(8-5-13)24(22,23)12-15(3)19-16-6-9-18-20-14(2)10-21(18)11-16/h4-5,7-8,10,15-16,19H,6,9,11-12H2,1-3H3/t15-,16-/m1/s1
InChIKeyDGRXODPOKJJDIO-HZPDHXFCSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 99783283
(2S)-2-ethoxy-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765907
4-cyano-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 75434741
2-(2,5-dimethylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95737521
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
CID 71870926
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
trans-(1R,2R)-2-methoxy-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohexan-1-amine
CID 99854602
(1S,2S)-1-[[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 99822665
4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102028
(2R)-1-(4-methylphenyl)sulfonyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 99822457
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765302

Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 99854592) is (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H]2CCc3nc(C)cn3C2)cc1.
What is the InChIKey of (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is DGRXODPOKJJDIO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-4-7-17(8-5-13)24(22,23)12-15(3)19-16-6-9-18-20-14(2)10-21(18)11-16/h4-5,7-8,10,15-16,19H,6,9,11-12H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
(6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 347.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 99854592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).