3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide

C11H16BrNO2S2 — CID 107400610

IUPAC3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHGRAFENBILQNSC-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.32
Rot. Bonds5

About 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide

3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide (PubChem CID 107400610) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
PubChem CID107400610
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3
InChIKeyHGRAFENBILQNSC-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
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ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107
3-bromo-N-ethyl-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61062149
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 61458158
3-bromo-N-(2-bromoethyl)-N-cyclohexylthiophene-2-sulfonamide
CID 80669651
3-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
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3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
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CID 61456147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide (CID 107400610) is 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is HGRAFENBILQNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-2-13(8-9-4-3-5-9)17(14,15)11-10(12)6-7-16-11/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide?
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 338.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 107400610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).