N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide

C18H27N3O2S — CID 97493776

IUPACN,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCc1ccc(CN2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)s1
InChIInChI=1S/C18H27N3O2S/c1-14-4-5-15(24-14)12-20-10-8-18(9-11-20)7-6-16(22)21(18)13-17(23)19(2)3/h4-5H,6-13H2,1-3H3
InChIKeyJTBRBCLXJLDLEY-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.10
Rot. Bonds4

About N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide

N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide (PubChem CID 97493776) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide
PubChem CID97493776
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide
SMILESCc1ccc(CN2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)s1
InChIInChI=1S/C18H27N3O2S/c1-14-4-5-15(24-14)12-20-10-8-18(9-11-20)7-6-16(22)21(18)13-17(23)19(2)3/h4-5H,6-13H2,1-3H3
InChIKeyJTBRBCLXJLDLEY-UHFFFAOYSA-N
XLogP2.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide (CID 97493776) is N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide is Cc1ccc(CN2CCC3(CCC(=O)N3CC(=O)N(C)C)CC2)s1.
What is the InChIKey of N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
The InChIKey is JTBRBCLXJLDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-4-5-15(24-14)12-20-10-8-18(9-11-20)7-6-16(22)21(18)13-17(23)19(2)3/h4-5H,6-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide?
N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-[(5-methylthiophen-2-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decan-1-yl]acetamide is sourced from PubChem (CID 97493776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).