2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide

C16H25N5O3S — CID 118739520

IUPAC2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C16H25N5O3S/c1-20(2)25(22,23)21-6-5-16(10-21)11-24-9-13-8-18-15(19-14(13)16)17-7-12-3-4-12/h8,12H,3-7,9-11H2,1-2H3,(H,17,18,19)
InChIKeyXVOWWCUDRYETCL-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.58
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide

2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide (PubChem CID 118739520) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
PubChem CID118739520
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1
InChIInChI=1S/C16H25N5O3S/c1-20(2)25(22,23)21-6-5-16(10-21)11-24-9-13-8-18-15(19-14(13)16)17-7-12-3-4-12/h8,12H,3-7,9-11H2,1-2H3,(H,17,18,19)
InChIKeyXVOWWCUDRYETCL-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide (CID 118739520) is 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide is CN(C)S(=O)(=O)N1CCC2(COCc3cnc(NCC4CC4)nc32)C1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
The InChIKey is XVOWWCUDRYETCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-20(2)25(22,23)21-6-5-16(10-21)11-24-9-13-8-18-15(19-14(13)16)17-7-12-3-4-12/h8,12H,3-7,9-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide?
2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide has a molecular weight of 367.48 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-sulfonamide is sourced from PubChem (CID 118739520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).