N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide

C18H26N2O3S — CID 131638561

IUPACN-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide
SMILESCCN1CCC2(CC1)CC(NS(=O)(=O)C1CC1)c1ccccc1O2
InChIInChI=1S/C18H26N2O3S/c1-2-20-11-9-18(10-12-20)13-16(19-24(21,22)14-7-8-14)15-5-3-4-6-17(15)23-18/h3-6,14,16,19H,2,7-13H2,1H3
InChIKeyQUMJCAQMKQLAAQ-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.45
Rot. Bonds4

About N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide

N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide (PubChem CID 131638561) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide
PubChem CID131638561
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide
SMILESCCN1CCC2(CC1)CC(NS(=O)(=O)C1CC1)c1ccccc1O2
InChIInChI=1S/C18H26N2O3S/c1-2-20-11-9-18(10-12-20)13-16(19-24(21,22)14-7-8-14)15-5-3-4-6-17(15)23-18/h3-6,14,16,19H,2,7-13H2,1H3
InChIKeyQUMJCAQMKQLAAQ-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 134075744
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
4-(methanesulfonamido)-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 131643557
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712287
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
1'-cyclopropyl-N-ethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 114712252
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686

Frequently Asked Questions

What is the IUPAC name of N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide?
The IUPAC name of N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide (CID 131638561) is N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide is CCN1CCC2(CC1)CC(NS(=O)(=O)C1CC1)c1ccccc1O2.
What is the InChIKey of N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide?
The InChIKey is QUMJCAQMKQLAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-20-11-9-18(10-12-20)13-16(19-24(21,22)14-7-8-14)15-5-3-4-6-17(15)23-18/h3-6,14,16,19H,2,7-13H2,1H3.
What are the key properties of N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide?
N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)cyclopropanesulfonamide is sourced from PubChem (CID 131638561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).