N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide

C10H13NO3S2 — CID 30789391

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO3S2/c1-7-2-4-15-9(7)10(12)11-8-3-5-16(13,14)6-8/h2,4,8H,3,5-6H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNZTZOJLCKOXPSK-QMMMGPOBSA-N
MW259.35 g/mol
LogP0.97
Rot. Bonds2

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 30789391) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID30789391
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO3S2/c1-7-2-4-15-9(7)10(12)11-8-3-5-16(13,14)6-8/h2,4,8H,3,5-6H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNZTZOJLCKOXPSK-QMMMGPOBSA-N
XLogP0.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
CID 95574609
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
N-[(3S)-1,1-dioxothiolan-3-yl]-N,3-dimethylthiophene-2-carboxamide
CID 6599870
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544
2-(1,1-dioxothiolan-3-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 105115818
N-(3,3-dimethylcyclopentyl)-3-methylthiophene-2-carboxamide
CID 115880667
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(Z)-(3-methylthiophen-2-yl)methylideneamino]thiourea
CID 34318221
N-(1,1-dioxothian-4-yl)-3-phenylthiophene-2-carboxamide
CID 60511869

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide (CID 30789391) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is NZTZOJLCKOXPSK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-7-2-4-15-9(7)10(12)11-8-3-5-16(13,14)6-8/h2,4,8H,3,5-6H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 30789391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).