2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C16H21ClN2O3S — CID 91912611

IUPAC2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2ccc(Cl)s2)CC12CCOCC2
InChIInChI=1S/C16H21ClN2O3S/c1-18(2)14(20)11-9-19(10-16(11)5-7-22-8-6-16)15(21)12-3-4-13(17)23-12/h3-4,11H,5-10H2,1-2H3
InChIKeyDFPHUQBYAAXAIT-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.36
Rot. Bonds2

About 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912611) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912611
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2ccc(Cl)s2)CC12CCOCC2
InChIInChI=1S/C16H21ClN2O3S/c1-18(2)14(20)11-9-19(10-16(11)5-7-22-8-6-16)15(21)12-3-4-13(17)23-12/h3-4,11H,5-10H2,1-2H3
InChIKeyDFPHUQBYAAXAIT-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912611) is 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CN(C)C(=O)C1CN(C(=O)c2ccc(Cl)s2)CC12CCOCC2.
What is the InChIKey of 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DFPHUQBYAAXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c1-18(2)14(20)11-9-19(10-16(11)5-7-22-8-6-16)15(21)12-3-4-13(17)23-12/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophene-2-carbonyl)-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).