2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

C17H22N2O2S — CID 118739680

IUPAC2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)c2ccsc2)CN1CC1CC1
InChIInChI=1S/C17H22N2O2S/c20-15-9-17(12-18(15)10-13-3-4-13)6-1-2-7-19(17)16(21)14-5-8-22-11-14/h5,8,11,13H,1-4,6-7,9-10,12H2
InChIKeyPIZIMCRNZSKJML-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.76
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one

2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118739680) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118739680
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCN2C(=O)c2ccsc2)CN1CC1CC1
InChIInChI=1S/C17H22N2O2S/c20-15-9-17(12-18(15)10-13-3-4-13)6-1-2-7-19(17)16(21)14-5-8-22-11-14/h5,8,11,13H,1-4,6-7,9-10,12H2
InChIKeyPIZIMCRNZSKJML-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10S)-10-ethyl-1-methyl-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375550
1-[(2S,3aR,7aS)-2-[(dimethylamino)methyl]-5-(thiophene-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone
CID 97460088
[(2S,3aR,7aS)-1-methyl-2-(pyrrolidin-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97460106
(1-Ethyl-1,8-diazaspiro[4.5]decan-8-yl)-thiophen-3-ylmethanone
CID 97493554
N-methyl-2-[8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493601
N,N-dimethyl-2-[2-oxo-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97493770
2-Methyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738840
2-Ethyl-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738841
2-(Cyclopropylmethyl)-6-(thiophene-2-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738844
1-Ethyl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118738961
2-(3-Methoxypropyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118739681
(3aR,7aR)-4-(cyclopropylmethyl)-1-(thiophene-3-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 118741162

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118739680) is 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is O=C1CC2(CCCCN2C(=O)c2ccsc2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is PIZIMCRNZSKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-15-9-17(12-18(15)10-13-3-4-13)6-1-2-7-19(17)16(21)14-5-8-22-11-14/h5,8,11,13H,1-4,6-7,9-10,12H2.
What are the key properties of 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one?
2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 318.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(thiophene-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118739680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).