2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide

C18H22N4O2S — CID 165396533

IUPAC2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N4O2S/c1-11-6-7-13(10-16(11)25(19,23)24)17-14-4-3-5-15(14)20-18(21-17)22-9-8-12(22)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,19,23,24)/t12-/m0/s1
InChIKeyGLWIQIKQDVRESG-LBPRGKRZSA-N
MW358.47 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide

2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide (PubChem CID 165396533) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
PubChem CID165396533
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
SMILESCc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1S(N)(=O)=O
InChIInChI=1S/C18H22N4O2S/c1-11-6-7-13(10-16(11)25(19,23)24)17-14-4-3-5-15(14)20-18(21-17)22-9-8-12(22)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,19,23,24)/t12-/m0/s1
InChIKeyGLWIQIKQDVRESG-LBPRGKRZSA-N
XLogP2.19
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide (CID 165396533) is 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide is Cc1ccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is GLWIQIKQDVRESG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11-6-7-13(10-16(11)25(19,23)24)17-14-4-3-5-15(14)20-18(21-17)22-9-8-12(22)2/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,19,23,24)/t12-/m0/s1.
What are the key properties of 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 358.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 165396533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).