N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide

C11H15NOS2 — CID 80528767

IUPACN-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2cccs2)CCCS1
InChIInChI=1S/C11H15NOS2/c1-11(5-3-7-15-11)8-12-10(13)9-4-2-6-14-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyWWCFLRNINJIHQC-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide

N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 80528767) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
PubChem CID80528767
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
SMILESCC1(CNC(=O)c2cccs2)CCCS1
InChIInChI=1S/C11H15NOS2/c1-11(5-3-7-15-11)8-12-10(13)9-4-2-6-14-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13)
InChIKeyWWCFLRNINJIHQC-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103742453
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
3-[[(2R)-2-methylthiolan-2-yl]methylcarbamoyl]benzoic acid
CID 124592899
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
3,5-dihydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113347322
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
6-bromo-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528541

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide (CID 80528767) is N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide is CC1(CNC(=O)c2cccs2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is WWCFLRNINJIHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-11(5-3-7-15-11)8-12-10(13)9-4-2-6-14-9/h2,4,6H,3,5,7-8H2,1H3,(H,12,13).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide?
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 80528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).