2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide

C12H15F3N2O2S2 — CID 106218686

IUPAC2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H15F3N2O2S2/c13-12(14,15)11(4-5-11)17-21(18,19)10-3-6-20-9(10)7-16-8-1-2-8/h3,6,8,16-17H,1-2,4-5,7H2
InChIKeyQXGUJMUWQKJPQC-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.37
Rot. Bonds6

About 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide

2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide (PubChem CID 106218686) has the molecular formula C12H15F3N2O2S2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
PubChem CID106218686
Molecular FormulaC12H15F3N2O2S2
Molecular Weight340.39 g/mol
Exact Mass340.05
IUPAC Name2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NC1(C(F)(F)F)CC1)c1ccsc1CNC1CC1
InChIInChI=1S/C12H15F3N2O2S2/c13-12(14,15)11(4-5-11)17-21(18,19)10-3-6-20-9(10)7-16-8-1-2-8/h3,6,8,16-17H,1-2,4-5,7H2
InChIKeyQXGUJMUWQKJPQC-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
2-[(cyclopropylamino)methyl]-N-(4-methylpentyl)thiophene-3-sulfonamide
CID 106017003
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
2-[(cyclopropylamino)methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thiophene-3-sulfonamide
CID 106072832
2-[(cyclopropylamino)methyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106068037
2-[(cyclopropylamino)methyl]-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077237
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
CID 80645158
N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 114414192
2-[(cyclopropylamino)methyl]-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81064513

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide (CID 106218686) is 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide is O=S(=O)(NC1(C(F)(F)F)CC1)c1ccsc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
The InChIKey is QXGUJMUWQKJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S2/c13-12(14,15)11(4-5-11)17-21(18,19)10-3-6-20-9(10)7-16-8-1-2-8/h3,6,8,16-17H,1-2,4-5,7H2.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide?
2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide has a molecular weight of 340.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-[1-(trifluoromethyl)cyclopropyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106218686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).