2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C19H28N2O3S — CID 91910509

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC12CCNCC2
InChIInChI=1S/C19H28N2O3S/c1-24-13-17-12-21(14-19(17)7-9-20-10-8-19)25(22,23)18-6-5-15-3-2-4-16(15)11-18/h5-6,11,17,20H,2-4,7-10,12-14H2,1H3
InChIKeyMTGVXCZZMTXFQZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910509) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910509
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC12CCNCC2
InChIInChI=1S/C19H28N2O3S/c1-24-13-17-12-21(14-19(17)7-9-20-10-8-19)25(22,23)18-6-5-15-3-2-4-16(15)11-18/h5-6,11,17,20H,2-4,7-10,12-14H2,1H3
InChIKeyMTGVXCZZMTXFQZ-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910509) is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CC12CCNCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is MTGVXCZZMTXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-24-13-17-12-21(14-19(17)7-9-20-10-8-19)25(22,23)18-6-5-15-3-2-4-16(15)11-18/h5-6,11,17,20H,2-4,7-10,12-14H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 364.51 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).