2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

C20H23N5O2S — CID 25217829

IUPAC2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyHOKWMCZMNUPYRW-GOSISDBHSA-N
MW397.50 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (PubChem CID 25217829) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
PubChem CID25217829
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESCN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1
InChIKeyHOKWMCZMNUPYRW-GOSISDBHSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (CID 25217829) is 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is CN(C)S(=O)(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The InChIKey is HOKWMCZMNUPYRW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-24(2)28(26,27)23-18-10-12-25(14-18)20-21-11-9-19(22-20)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13,18,23H,10,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine has a molecular weight of 397.50 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 2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 25217829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).