2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H21ClN2O2S — CID 45175783

IUPAC2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(Cl)s1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H21ClN2O2S/c18-14-5-4-13(23-14)15(21)20-9-7-17(11-20)6-1-8-19(16(17)22)10-12-2-3-12/h4-5,12H,1-3,6-11H2
InChIKeyQSWOSPHVBMHWTP-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45175783) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45175783
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccc(Cl)s1)N1CCC2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C17H21ClN2O2S/c18-14-5-4-13(23-14)15(21)20-9-7-17(11-20)6-1-8-19(16(17)22)10-12-2-3-12/h4-5,12H,1-3,6-11H2
InChIKeyQSWOSPHVBMHWTP-UHFFFAOYSA-N
XLogP3.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45175783) is 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccc(Cl)s1)N1CCC2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QSWOSPHVBMHWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c18-14-5-4-13(23-14)15(21)20-9-7-17(11-20)6-1-8-19(16(17)22)10-12-2-3-12/h4-5,12H,1-3,6-11H2.
What are the key properties of 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.89 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophene-2-carbonyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45175783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).