N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

C18H26N2O2S — CID 118744827

IUPACN-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCS(=O)(=O)N1CCC2(CC1)CC(NCC1CC1)c1ccccc12
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)20-10-8-18(9-11-20)12-17(19-13-14-6-7-14)15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
InChIKeyXIDWMZQSEKVMBJ-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.42
Rot. Bonds4

About N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 118744827) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID118744827
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCS(=O)(=O)N1CCC2(CC1)CC(NCC1CC1)c1ccccc12
InChIInChI=1S/C18H26N2O2S/c1-23(21,22)20-10-8-18(9-11-20)12-17(19-13-14-6-7-14)15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3
InChIKeyXIDWMZQSEKVMBJ-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 118744827) is N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is CS(=O)(=O)N1CCC2(CC1)CC(NCC1CC1)c1ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is XIDWMZQSEKVMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-23(21,22)20-10-8-18(9-11-20)12-17(19-13-14-6-7-14)15-4-2-3-5-16(15)18/h2-5,14,17,19H,6-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine has a molecular weight of 334.49 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1'-methylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 118744827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).