N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

C20H26N4O2S — CID 163312114

IUPACN,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C20H26N4O2S/c1-15-7-4-5-8-17(15)27(25,26)24-12-6-10-20(14-24)11-9-16-13-21-19(23(2)3)22-18(16)20/h4-5,7-8,13H,6,9-12,14H2,1-3H3
InChIKeyACYKRBVBBNXMFK-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.52
Rot. Bonds3

About N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine

N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (PubChem CID 163312114) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
PubChem CID163312114
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
SMILESCc1ccccc1S(=O)(=O)N1CCCC2(CCc3cnc(N(C)C)nc32)C1
InChIInChI=1S/C20H26N4O2S/c1-15-7-4-5-8-17(15)27(25,26)24-12-6-10-20(14-24)11-9-16-13-21-19(23(2)3)22-18(16)20/h4-5,7-8,13H,6,9-12,14H2,1-3H3
InChIKeyACYKRBVBBNXMFK-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The IUPAC name of N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine (CID 163312114) is N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine.
What is the SMILES notation for N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The canonical SMILES for N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is Cc1ccccc1S(=O)(=O)N1CCCC2(CCc3cnc(N(C)C)nc32)C1.
What is the InChIKey of N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
The InChIKey is ACYKRBVBBNXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-15-7-4-5-8-17(15)27(25,26)24-12-6-10-20(14-24)11-9-16-13-21-19(23(2)3)22-18(16)20/h4-5,7-8,13H,6,9-12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine?
N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine has a molecular weight of 386.52 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine is sourced from PubChem (CID 163312114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).