3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide

C11H14BrNO2S2 — CID 103838056

IUPAC3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CC1)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S2/c12-9-3-6-16-10(9)17(14,15)13-7-11(4-5-11)8-1-2-8/h3,6,8,13H,1-2,4-5,7H2
InChIKeyDFUITGQMIQAPIU-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.98
Rot. Bonds5

About 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide

3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 103838056) has the molecular formula C11H14BrNO2S2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID103838056
Molecular FormulaC11H14BrNO2S2
Molecular Weight336.28 g/mol
Exact Mass334.96
IUPAC Name3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(C2CC2)CC1)c1sccc1Br
InChIInChI=1S/C11H14BrNO2S2/c12-9-3-6-16-10(9)17(14,15)13-7-11(4-5-11)8-1-2-8/h3,6,8,13H,1-2,4-5,7H2
InChIKeyDFUITGQMIQAPIU-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 103969987
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
3-bromo-N-[(4-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 113400598
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
3-bromo-N-[1-(bromomethyl)cyclohexyl]thiophene-2-sulfonamide
CID 113271024
4-[(3-bromothiophen-2-yl)sulfonylamino]-N-cyclopropylbutanamide
CID 112732422
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide (CID 103838056) is 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(C2CC2)CC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is DFUITGQMIQAPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S2/c12-9-3-6-16-10(9)17(14,15)13-7-11(4-5-11)8-1-2-8/h3,6,8,13H,1-2,4-5,7H2.
What are the key properties of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide?
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 336.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 103838056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).