9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one

C15H22N2OS — CID 97370782

IUPAC9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCC3(CCCC(=O)N3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-12-4-5-13(19-12)11-17-9-7-15(8-10-17)6-2-3-14(18)16-15/h4-5H,2-3,6-11H2,1H3,(H,16,18)
InChIKeyHJZNSWBPACNKSJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.69
Rot. Bonds2

About 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one

9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 97370782) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID97370782
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1ccc(CN2CCC3(CCCC(=O)N3)CC2)s1
InChIInChI=1S/C15H22N2OS/c1-12-4-5-13(19-12)11-17-9-7-15(8-10-17)6-2-3-14(18)16-15/h4-5H,2-3,6-11H2,1H3,(H,16,18)
InChIKeyHJZNSWBPACNKSJ-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)cyclohexanecarboxamide
CID 5310190
N-[1-(1-phenylethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 72012173
8-(3-methylbutyl)-9-oxo-N-(2-thienylmethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 72906235
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375554
8-[(5-Methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 118742260
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 118742267
1-Methyl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118742310
8-[(5-Methylthiophen-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118742453
1-Methyl-8-[(5-methylthiophen-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 118744739
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 118745563
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-(2-thienylacetyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56904408
2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7682110

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one (CID 97370782) is 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one is Cc1ccc(CN2CCC3(CCCC(=O)N3)CC2)s1.
What is the InChIKey of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is HJZNSWBPACNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-4-5-13(19-12)11-17-9-7-15(8-10-17)6-2-3-14(18)16-15/h4-5H,2-3,6-11H2,1H3,(H,16,18).
What are the key properties of 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one?
9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 278.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methylthiophen-2-yl)methyl]-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 97370782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).