N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide

C11H15NO2S2 — CID 71804815

IUPACN-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2ccsc2)CCSC1
InChIInChI=1S/C11H15NO2S2/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyHRKMXAUBMWOQFS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.00
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide

N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 71804815) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide
PubChem CID71804815
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide
SMILESCOC1(CNC(=O)c2ccsc2)CCSC1
InChIInChI=1S/C11H15NO2S2/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyHRKMXAUBMWOQFS-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Magnesium, bis(N-(3-thienylcarbonyl)glycinato-O,O(sup N))-, (T-4)-
CID 3055285
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CID 71787267
methyl N-methyl-N-(thiophene-3-carbonyl)glycinate
CID 43407716
N-(2-hydroxy-3-methoxy-2-methylpropyl)thiophene-3-carboxamide
CID 56724179
N-(4-morpholinobut-2-yn-1-yl)thiophene-3-carboxamide
CID 71792704
(3-(Tert-butylthio)pyrrolidin-1-yl)(thiophen-3-yl)methanone
CID 71805938
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
8-(Thiophene-3-carbonyl)-1-oxa-4,8-diazacycloundecan-5-one
CID 110201624
3-(2-Methoxyethoxy)-1-(thiophene-3-carbonyl)pyrrolidine
CID 124072654
N-Butylthiophene-3-carboxamide
CID 12161492
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]thiophene-3-carboxamide
CID 95368828
N-[(3S,4R)-4-(thiophene-3-carbonylamino)oxolan-3-yl]thiophene-3-carboxamide
CID 138021648

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide (CID 71804815) is N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide is COC1(CNC(=O)c2ccsc2)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide?
The InChIKey is HRKMXAUBMWOQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-14-11(3-5-16-8-11)7-12-10(13)9-2-4-15-6-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide?
N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 71804815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).