3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C14H19ClN2O2S — CID 155495510

IUPAC3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(Cc3ccc(Cl)s3)CC2)CN1
InChIInChI=1S/C14H19ClN2O2S/c15-12-2-1-11(20-12)9-17-6-4-14(5-7-17)10-16-13(18)3-8-19-14/h1-2H,3-10H2,(H,16,18)
InChIKeyVKIKDTAWFDJJPA-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.27
Rot. Bonds2

About 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155495510) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155495510
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(Cc3ccc(Cl)s3)CC2)CN1
InChIInChI=1S/C14H19ClN2O2S/c15-12-2-1-11(20-12)9-17-6-4-14(5-7-17)10-16-13(18)3-8-19-14/h1-2H,3-10H2,(H,16,18)
InChIKeyVKIKDTAWFDJJPA-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-3,3-dimethyl-2H-1-benzofuran-7-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154816218
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728690
N-[2-(4-fluorophenyl)ethyl]-2-(10-oxo-7-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)acetamide
CID 154817071
3-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155508758
9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392222
9-(1,3-benzothiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638803
N-[(4R,5S)-9-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137344254
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883460
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946201
3-(1-phenylcyclohexanecarbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154819330
9-[(5-phenylthiophen-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56912689
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylpiperidin-4-one
CID 114508711

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155495510) is 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(Cc3ccc(Cl)s3)CC2)CN1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is VKIKDTAWFDJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c15-12-2-1-11(20-12)9-17-6-4-14(5-7-17)10-16-13(18)3-8-19-14/h1-2H,3-10H2,(H,16,18).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 314.84 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155495510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).