1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea

C21H26N4O4S — CID 30875317

IUPAC1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESCN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1O2
InChIInChI=1S/C21H26N4O4S/c1-25-12-10-21(11-13-25)14-18(17-4-2-3-5-19(17)29-21)24-20(26)23-15-6-8-16(9-7-15)30(22,27)28/h2-9,18H,10-14H2,1H3,(H2,22,27,28)(H2,23,24,26)/t18-/m1/s1
InChIKeyDOZOQMYJSTZRLJ-GOSISDBHSA-N
MW430.53 g/mol
LogP2.44
Rot. Bonds3

About 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea

1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea (PubChem CID 30875317) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea
PubChem CID30875317
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea
SMILESCN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1O2
InChIInChI=1S/C21H26N4O4S/c1-25-12-10-21(11-13-25)14-18(17-4-2-3-5-19(17)29-21)24-20(26)23-15-6-8-16(9-7-15)30(22,27)28/h2-9,18H,10-14H2,1H3,(H2,22,27,28)(H2,23,24,26)/t18-/m1/s1
InChIKeyDOZOQMYJSTZRLJ-GOSISDBHSA-N
XLogP2.44
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]urea
CID 40743676
N-[4-[4-(propan-2-ylcarbamoylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]sulfonylphenyl]acetamide
CID 171922051
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 9264917
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
CID 155945168
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea (CID 30875317) is 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea is CN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1O2.
What is the InChIKey of 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is DOZOQMYJSTZRLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-25-12-10-21(11-13-25)14-18(17-4-2-3-5-19(17)29-21)24-20(26)23-15-6-8-16(9-7-15)30(22,27)28/h2-9,18H,10-14H2,1H3,(H2,22,27,28)(H2,23,24,26)/t18-/m1/s1.
What are the key properties of 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea?
1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 430.53 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 30875317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).