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

C16H19N5O2S — CID 165397446

IUPAC4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccnc(S(N)(=O)=O)c3)n1)CCC2
InChIInChI=1S/C16H19N5O2S/c1-10-6-8-21(10)16-19-13-4-2-3-12(13)15(20-16)11-5-7-18-14(9-11)24(17,22)23/h5,7,9-10H,2-4,6,8H2,1H3,(H2,17,22,23)/t10-/m0/s1
InChIKeyCFGNRBDTXWVDRL-JTQLQIEISA-N
MW345.43 g/mol
LogP1.27
Rot. Bonds3

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

4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide (PubChem CID 165397446) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide
PubChem CID165397446
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide
SMILESC[C@H]1CCN1c1nc2c(c(-c3ccnc(S(N)(=O)=O)c3)n1)CCC2
InChIInChI=1S/C16H19N5O2S/c1-10-6-8-21(10)16-19-13-4-2-3-12(13)15(20-16)11-5-7-18-14(9-11)24(17,22)23/h5,7,9-10H,2-4,6,8H2,1H3,(H2,17,22,23)/t10-/m0/s1
InChIKeyCFGNRBDTXWVDRL-JTQLQIEISA-N
XLogP1.27
TPSA102.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide?
The IUPAC name of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide (CID 165397446) is 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide?
The canonical SMILES for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide is C[C@H]1CCN1c1nc2c(c(-c3ccnc(S(N)(=O)=O)c3)n1)CCC2.
What is the InChIKey of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide?
The InChIKey is CFGNRBDTXWVDRL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-6-8-21(10)16-19-13-4-2-3-12(13)15(20-16)11-5-7-18-14(9-11)24(17,22)23/h5,7,9-10H,2-4,6,8H2,1H3,(H2,17,22,23)/t10-/m0/s1.
What are the key properties of 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide?
4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide has a molecular weight of 345.43 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 165397446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).