(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C16H22N2O2S — CID 164641413

IUPAC(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1ccc(C(=O)N2CC3(C[C@H](N4CCCC4)CO3)C2)s1
InChIInChI=1S/C16H22N2O2S/c1-12-4-5-14(21-12)15(19)18-10-16(11-18)8-13(9-20-16)17-6-2-3-7-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m0/s1
InChIKeyMQZMZEIUPXPUOZ-ZDUSSCGKSA-N
MW306.43 g/mol
LogP2.14
Rot. Bonds2

About (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 164641413) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID164641413
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCc1ccc(C(=O)N2CC3(C[C@H](N4CCCC4)CO3)C2)s1
InChIInChI=1S/C16H22N2O2S/c1-12-4-5-14(21-12)15(19)18-10-16(11-18)8-13(9-20-16)17-6-2-3-7-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m0/s1
InChIKeyMQZMZEIUPXPUOZ-ZDUSSCGKSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,3aR,6aS)-3-[2-(dimethylamino)ethoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-thiophen-2-ylmethanone
CID 97459519
[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](5-methyl-2-thienyl)methanone
CID 91910567
3-Methoxy-1-[1-(thiophene-2-carbonyl)piperidin-4-YL]-7-oxa-1-azaspiro[3.5]nonane
CID 124075172
(2-methylthiophen-3-yl)-[(5S)-7-oxa-1-azaspiro[4.4]nonan-1-yl]methanone
CID 164629418
1-[(7S)-7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
CID 164630968
1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
CID 164631815
[(2R)-2-(methoxymethyl)azetidin-1-yl]-(5-propan-2-ylthiophen-2-yl)methanone
CID 164639608
4,4-Difluoro-2-(methoxymethyl)-1-[1-(thiophene-2-carbonyl)azetidin-3-YL]pyrrolidine
CID 132435895
4,4-Difluoro-2-(methoxymethyl)-1-[1-(5-methylthiophene-2-carbonyl)azetidin-3-YL]pyrrolidine
CID 132435898
2-(Ethoxymethyl)-4,4-difluoro-1-[1-(3-methylthiophene-2-carbonyl)azetidin-3-YL]pyrrolidine
CID 132439774
[3-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-2-ylmethanone
CID 156610766
(3-Pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)-thiophen-2-ylmethanone
CID 131643837

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 164641413) is (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1ccc(C(=O)N2CC3(C[C@H](N4CCCC4)CO3)C2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is MQZMZEIUPXPUOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-4-5-14(21-12)15(19)18-10-16(11-18)8-13(9-20-16)17-6-2-3-7-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m0/s1.
What are the key properties of (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?
(5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 306.43 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 164641413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).