N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide

C18H22N4O2S — CID 165396350

IUPACN-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)c1
InChIInChI=1S/C18H22N4O2S/c1-12-9-10-22(12)18-20-16-8-4-7-15(16)17(21-18)13-5-3-6-14(11-13)25(23,24)19-2/h3,5-6,11-12,19H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyNNFDCSJGOMAMCK-LBPRGKRZSA-N
MW358.47 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide

N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide (PubChem CID 165396350) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
PubChem CID165396350
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)c1
InChIInChI=1S/C18H22N4O2S/c1-12-9-10-22(12)18-20-16-8-4-7-15(16)17(21-18)13-5-3-6-14(11-13)25(23,24)19-2/h3,5-6,11-12,19H,4,7-10H2,1-2H3/t12-/m0/s1
InChIKeyNNFDCSJGOMAMCK-LBPRGKRZSA-N
XLogP2.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US12410160, Example 192
CID 165397399
2-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-(tert-butyl)benzenesulfonamide
CID 77096904
N-(4,6-dimethylpyrimidin-2-yl)-N'-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-indole-1-carboximidamide
CID 5554512
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 71836297
US12410160, Example 323
CID 165395772
US12410160, Example 776
CID 165395788
US12410160, Example 684
CID 165395841
US12410160, Example 269
CID 165395843
US12410160, Example 198
CID 165396005
US12410160, Example 785
CID 165396050
US12410160, Example 885
CID 165396129
US12410160, Example 710
CID 165396178

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide (CID 165396350) is N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2nc(N3CC[C@@H]3C)nc3c2CCC3)c1.
What is the InChIKey of N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is NNFDCSJGOMAMCK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-9-10-22(12)18-20-16-8-4-7-15(16)17(21-18)13-5-3-6-14(11-13)25(23,24)19-2/h3,5-6,11-12,19H,4,7-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide?
N-methyl-3-[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 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 165396350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).