N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide

C12H21FN2O2S2 — CID 146122494

IUPACN-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide
SMILESCCCCN(C)CC(C)NS(=O)(=O)c1sccc1F
InChIInChI=1S/C12H21FN2O2S2/c1-4-5-7-15(3)9-10(2)14-19(16,17)12-11(13)6-8-18-12/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyCULOZRYFNPQFEU-UHFFFAOYSA-N
MW308.44 g/mol
LogP2.29
Rot. Bonds8

About N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide

N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide (PubChem CID 146122494) has the molecular formula C12H21FN2O2S2 and a molecular weight of 308.44 g/mol. Its IUPAC name is N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide
PubChem CID146122494
Molecular FormulaC12H21FN2O2S2
Molecular Weight308.44 g/mol
Exact Mass308.10
IUPAC NameN-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide
SMILESCCCCN(C)CC(C)NS(=O)(=O)c1sccc1F
InChIInChI=1S/C12H21FN2O2S2/c1-4-5-7-15(3)9-10(2)14-19(16,17)12-11(13)6-8-18-12/h6,8,10,14H,4-5,7,9H2,1-3H3
InChIKeyCULOZRYFNPQFEU-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide?
The IUPAC name of N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide (CID 146122494) is N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide is CCCCN(C)CC(C)NS(=O)(=O)c1sccc1F.
What is the InChIKey of N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide?
The InChIKey is CULOZRYFNPQFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O2S2/c1-4-5-7-15(3)9-10(2)14-19(16,17)12-11(13)6-8-18-12/h6,8,10,14H,4-5,7,9H2,1-3H3.
What are the key properties of N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide?
N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide has a molecular weight of 308.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[butyl(methyl)amino]propan-2-yl]-3-fluorothiophene-2-sulfonamide is sourced from PubChem (CID 146122494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).