N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide

C20H26N4O2S — CID 135103567

IUPACN-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide
SMILESCc1ncc2c(n1)C1(CCCN(S(=O)(=O)N(C)Cc3ccccc3)C1)CC2
InChIInChI=1S/C20H26N4O2S/c1-16-21-13-18-9-11-20(19(18)22-16)10-6-12-24(15-20)27(25,26)23(2)14-17-7-4-3-5-8-17/h3-5,7-8,13H,6,9-12,14-15H2,1-2H3
InChIKeyKHQGMEJQDLWCGA-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.44
Rot. Bonds4

About N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide

N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide (PubChem CID 135103567) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide
PubChem CID135103567
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide
SMILESCc1ncc2c(n1)C1(CCCN(S(=O)(=O)N(C)Cc3ccccc3)C1)CC2
InChIInChI=1S/C20H26N4O2S/c1-16-21-13-18-9-11-20(19(18)22-16)10-6-12-24(15-20)27(25,26)23(2)14-17-7-4-3-5-8-17/h3-5,7-8,13H,6,9-12,14-15H2,1-2H3
InChIKeyKHQGMEJQDLWCGA-UHFFFAOYSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 135104277
N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 163312114
(5S)-N-benzyl-N,7-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-sulfonamide
CID 97129265
2-hydroxy-5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 164689057
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382
1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 135120730
2-ethylsulfanyl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 135098088
2-methyl-1'-[[3-(trifluoromethoxy)phenyl]methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135108126
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
1'-[(2-methoxy-3-pyridinyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163308924
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide?
The IUPAC name of N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide (CID 135103567) is N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide.
What is the SMILES notation for N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide?
The canonical SMILES for N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide is Cc1ncc2c(n1)C1(CCCN(S(=O)(=O)N(C)Cc3ccccc3)C1)CC2.
What is the InChIKey of N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide?
The InChIKey is KHQGMEJQDLWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-16-21-13-18-9-11-20(19(18)22-16)10-6-12-24(15-20)27(25,26)23(2)14-17-7-4-3-5-8-17/h3-5,7-8,13H,6,9-12,14-15H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide?
N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-sulfonamide is sourced from PubChem (CID 135103567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).