2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

C20H37N3O2S — CID 154820974

IUPAC2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NC[C@H]1[C@H]2CN(CCSC(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C20H37N3O2S/c1-5-22(6-2)13-19(24)21-11-16-17-12-23(9-10-26-15(3)4)14-20(17)8-7-18(16)25-20/h15-18H,5-14H2,1-4H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyFIEDQMIPBZSOEM-JRBPQWBISA-N
MW383.60 g/mol
LogP2.07
Rot. Bonds10

About 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide

2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (PubChem CID 154820974) has the molecular formula C20H37N3O2S and a molecular weight of 383.60 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
PubChem CID154820974
Molecular FormulaC20H37N3O2S
Molecular Weight383.60 g/mol
Exact Mass383.26
IUPAC Name2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NC[C@H]1[C@H]2CN(CCSC(C)C)C[C@]23CC[C@H]1O3
InChIInChI=1S/C20H37N3O2S/c1-5-22(6-2)13-19(24)21-11-16-17-12-23(9-10-26-15(3)4)14-20(17)8-7-18(16)25-20/h15-18H,5-14H2,1-4H3,(H,21,24)/t16-,17+,18+,20+/m0/s1
InChIKeyFIEDQMIPBZSOEM-JRBPQWBISA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide (CID 154820974) is 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is CCN(CC)CC(=O)NC[C@H]1[C@H]2CN(CCSC(C)C)C[C@]23CC[C@H]1O3.
What is the InChIKey of 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
The InChIKey is FIEDQMIPBZSOEM-JRBPQWBISA-N. The full InChI is InChI=1S/C20H37N3O2S/c1-5-22(6-2)13-19(24)21-11-16-17-12-23(9-10-26-15(3)4)14-20(17)8-7-18(16)25-20/h15-18H,5-14H2,1-4H3,(H,21,24)/t16-,17+,18+,20+/m0/s1.
What are the key properties of 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide?
2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide has a molecular weight of 383.60 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[(1S,5S,6R,7R)-3-(2-propan-2-ylsulfanylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]acetamide is sourced from PubChem (CID 154820974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).