2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide

C10H12ClNO2S — CID 106685400

IUPAC2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)C1CCSC1
InChIInChI=1S/C10H12ClNO2S/c1-12(7-3-5-15-6-7)10(13)8-2-4-14-9(8)11/h2,4,7H,3,5-6H2,1H3
InChIKeyLLLKCJIWEUUDEG-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.51
Rot. Bonds2

About 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide

2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide (PubChem CID 106685400) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
PubChem CID106685400
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide
SMILESCN(C(=O)c1ccoc1Cl)C1CCSC1
InChIInChI=1S/C10H12ClNO2S/c1-12(7-3-5-15-6-7)10(13)8-2-4-14-9(8)11/h2,4,7H,3,5-6H2,1H3
InChIKeyLLLKCJIWEUUDEG-UHFFFAOYSA-N
XLogP2.51
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106688438
2,3-difluoro-N-methyl-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 105380355
2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 43296386
2-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 106688427
N-(2-adamantyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106686283
3-amino-4-chloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296251
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
3,6-dimethyl-2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid
CID 103428743
6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 62154089
5-bromo-N-methyl-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 62954377
5-amino-2,4-difluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093800
3-amino-4,5-dichloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093211

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide (CID 106685400) is 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide is CN(C(=O)c1ccoc1Cl)C1CCSC1.
What is the InChIKey of 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide?
The InChIKey is LLLKCJIWEUUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-12(7-3-5-15-6-7)10(13)8-2-4-14-9(8)11/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide?
2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiolan-3-yl)furan-3-carboxamide is sourced from PubChem (CID 106685400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).