N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C12H19F3N2O2S2 — CID 102751797

IUPACN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2S2/c1-8(2)16-5-10-11(9(3)6-20-10)21(18,19)17(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3
InChIKeyDGKCOERSERILRY-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.74
Rot. Bonds6

About N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102751797) has the molecular formula C12H19F3N2O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102751797
Molecular FormulaC12H19F3N2O2S2
Molecular Weight344.42 g/mol
Exact Mass344.08
IUPAC NameN,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O2S2/c1-8(2)16-5-10-11(9(3)6-20-10)21(18,19)17(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3
InChIKeyDGKCOERSERILRY-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102751797) is N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is DGKCOERSERILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2S2/c1-8(2)16-5-10-11(9(3)6-20-10)21(18,19)17(4)7-12(13,14)15/h6,8,16H,5,7H2,1-4H3.
What are the key properties of N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 344.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).