N-(2-ethylsulfinylethyl)thiophene-2-carboxamide

C9H13NO2S2 — CID 115626836

IUPACN-(2-ethylsulfinylethyl)thiophene-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S2/c1-2-14(12)7-5-10-9(11)8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H,10,11)
InChIKeyMEWWRLSEOGEHLE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.25
Rot. Bonds5

About N-(2-ethylsulfinylethyl)thiophene-2-carboxamide

N-(2-ethylsulfinylethyl)thiophene-2-carboxamide (PubChem CID 115626836) has the molecular formula C9H13NO2S2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)thiophene-2-carboxamide
PubChem CID115626836
Molecular FormulaC9H13NO2S2
Molecular Weight231.34 g/mol
Exact Mass231.04
IUPAC NameN-(2-ethylsulfinylethyl)thiophene-2-carboxamide
SMILESCCS(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C9H13NO2S2/c1-2-14(12)7-5-10-9(11)8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H,10,11)
InChIKeyMEWWRLSEOGEHLE-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 47439395

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-ethylsulfinylethyl)thiophene-2-carboxamide (CID 115626836) is N-(2-ethylsulfinylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylethyl)thiophene-2-carboxamide is CCS(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-(2-ethylsulfinylethyl)thiophene-2-carboxamide?
The InChIKey is MEWWRLSEOGEHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S2/c1-2-14(12)7-5-10-9(11)8-4-3-6-13-8/h3-4,6H,2,5,7H2,1H3,(H,10,11).
What are the key properties of N-(2-ethylsulfinylethyl)thiophene-2-carboxamide?
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 115626836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).