5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide

C11H16F4N2O2S2 — CID 106295869

IUPAC5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1
InChIInChI=1S/C11H16F4N2O2S2/c1-7(2)16-5-8-3-4-9(20-8)21(18,19)17-6-11(14,15)10(12)13/h3-4,7,10,16-17H,5-6H2,1-2H3
InChIKeyDHRBBGVLVBVNBU-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.42
Rot. Bonds8

About 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide

5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide (PubChem CID 106295869) has the molecular formula C11H16F4N2O2S2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
PubChem CID106295869
Molecular FormulaC11H16F4N2O2S2
Molecular Weight348.39 g/mol
Exact Mass348.06
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1
InChIInChI=1S/C11H16F4N2O2S2/c1-7(2)16-5-8-3-4-9(20-8)21(18,19)17-6-11(14,15)10(12)13/h3-4,7,10,16-17H,5-6H2,1-2H3
InChIKeyDHRBBGVLVBVNBU-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106051525
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
5-(ethylaminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106296004
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870

Frequently Asked Questions

What is the IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide (CID 106295869) is 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCC(F)(F)C(F)F)s1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
The InChIKey is DHRBBGVLVBVNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O2S2/c1-7(2)16-5-8-3-4-9(20-8)21(18,19)17-6-11(14,15)10(12)13/h3-4,7,10,16-17H,5-6H2,1-2H3.
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide?
5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide has a molecular weight of 348.39 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106295869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).