5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C9H14F2N2O3S2 — CID 107480949

IUPAC5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C9H14F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-6,12H2
InChIKeyVEJAMUJCSJMGNC-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.45
Rot. Bonds7

About 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 107480949) has the molecular formula C9H14F2N2O3S2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID107480949
Molecular FormulaC9H14F2N2O3S2
Molecular Weight300.35 g/mol
Exact Mass300.04
IUPAC Name5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1
InChIInChI=1S/C9H14F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-6,12H2
InChIKeyVEJAMUJCSJMGNC-UHFFFAOYSA-N
XLogP0.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-(Morpholine-4-sulfonyl)thiophen-2-yl)methanamine
CID 16227260
[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol
CID 155565885
[5-(Morpholine-4-sulfonyl)thiophen-2-yl]methanamine hydrochloride
CID 16340542
5-[(2,2-Difluoroethylamino)methyl]thiophene-2-sulfonamide
CID 179070466
5-[(4,4,4-Trifluorobutylamino)methyl]thiophene-2-sulfonamide
CID 179070527
5-(aminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 43155720
5-[(Difluoromethylsulfonylamino)methyl]thiophene-2-sulfonamide
CID 43173412
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009505
5-(aminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009650
5-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009694
5-(2-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55009695
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 55010128

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 107480949) is 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)N(CCO)CC(F)F)s1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is VEJAMUJCSJMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3S2/c10-8(11)6-13(3-4-14)18(15,16)9-2-1-7(5-12)17-9/h1-2,8,14H,3-6,12H2.
What are the key properties of 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 300.35 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107480949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).