11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C21H24N2O3S — CID 155502645

IUPAC11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)c3ccsc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H24N2O3S/c24-19-6-12-26-21(16-23(19)14-17-4-2-1-3-5-17)8-10-22(11-9-21)20(25)18-7-13-27-15-18/h1-5,7,13,15H,6,8-12,14,16H2
InChIKeyHDHVMFAJWQRDHS-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.17
Rot. Bonds3

About 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155502645) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155502645
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(C(=O)c3ccsc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H24N2O3S/c24-19-6-12-26-21(16-23(19)14-17-4-2-1-3-5-17)8-10-22(11-9-21)20(25)18-7-13-27-15-18/h1-5,7,13,15H,6,8-12,14,16H2
InChIKeyHDHVMFAJWQRDHS-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
11-benzyl-3-(1-methylpyrrolidine-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155497544
4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384675
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
3-benzyl-8-(thiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278770
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 90565729
[9-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 155878851
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
3-(1-benzofuran-2-carbonyl)-11-ethyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155506647
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102

Frequently Asked Questions

What is the IUPAC name of 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155502645) is 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(C(=O)c3ccsc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is HDHVMFAJWQRDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-19-6-12-26-21(16-23(19)14-17-4-2-1-3-5-17)8-10-22(11-9-21)20(25)18-7-13-27-15-18/h1-5,7,13,15H,6,8-12,14,16H2.
What are the key properties of 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 384.50 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155502645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).