[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone

C16H24N2O2S — CID 87053382

IUPAC[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESCN(C)CC1CN(C(=O)c2ccsc2)CC12CCOCC2
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-14-10-18(15(19)13-3-8-21-11-13)12-16(14)4-6-20-7-5-16/h3,8,11,14H,4-7,9-10,12H2,1-2H3
InChIKeyYXZGHXJIAGKJKT-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.18
Rot. Bonds3

About [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone

[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (PubChem CID 87053382) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
PubChem CID87053382
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESCN(C)CC1CN(C(=O)c2ccsc2)CC12CCOCC2
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-14-10-18(15(19)13-3-8-21-11-13)12-16(14)4-6-20-7-5-16/h3,8,11,14H,4-7,9-10,12H2,1-2H3
InChIKeyYXZGHXJIAGKJKT-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (CID 87053382) is [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is CN(C)CC1CN(C(=O)c2ccsc2)CC12CCOCC2.
What is the InChIKey of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is YXZGHXJIAGKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17(2)9-14-10-18(15(19)13-3-8-21-11-13)12-16(14)4-6-20-7-5-16/h3,8,11,14H,4-7,9-10,12H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 308.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 87053382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).