1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone

C19H28N2O2S — CID 118743087

IUPAC1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C19H28N2O2S/c22-18(10-17-4-9-24-12-17)21-6-1-5-19(14-21)13-20(7-8-23-15-19)11-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2
InChIKeyRQVVAZQGUQZZEC-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.64
Rot. Bonds4

About 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone

1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 118743087) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
PubChem CID118743087
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCCC2(COCCN(CC3CC3)C2)C1
InChIInChI=1S/C19H28N2O2S/c22-18(10-17-4-9-24-12-17)21-6-1-5-19(14-21)13-20(7-8-23-15-19)11-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2
InChIKeyRQVVAZQGUQZZEC-UHFFFAOYSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone (CID 118743087) is 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCCC2(COCCN(CC3CC3)C2)C1.
What is the InChIKey of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?
The InChIKey is RQVVAZQGUQZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-18(10-17-4-9-24-12-17)21-6-1-5-19(14-21)13-20(7-8-23-15-19)11-16-2-3-16/h4,9,12,16H,1-3,5-8,10-11,13-15H2.
What are the key properties of 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone?
1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 348.51 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 118743087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).