N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide

C18H22N4O3S — CID 118739753

IUPACN,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C18H22N4O3S/c1-21(2)26(23,24)22-9-8-18(12-22)13-25-11-15-10-19-17(20-16(15)18)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3
InChIKeyMWHGEVNTLQPRFF-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.42
Rot. Bonds3

About N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide

N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide (PubChem CID 118739753) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
PubChem CID118739753
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C18H22N4O3S/c1-21(2)26(23,24)22-9-8-18(12-22)13-25-11-15-10-19-17(20-16(15)18)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3
InChIKeyMWHGEVNTLQPRFF-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The IUPAC name of N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide (CID 118739753) is N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC2(COCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The InChIKey is MWHGEVNTLQPRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21(2)26(23,24)22-9-8-18(12-22)13-25-11-15-10-19-17(20-16(15)18)14-6-4-3-5-7-14/h3-7,10H,8-9,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide is sourced from PubChem (CID 118739753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).