3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide

C9H12BrNO2S2 — CID 61067426

IUPAC3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNO2S2/c1-11(6-7-2-3-7)15(12,13)9-8(10)4-5-14-9/h4-5,7H,2-3,6H2,1H3
InChIKeyNDXKBMDZKAKFPT-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.54
Rot. Bonds4

About 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide

3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide (PubChem CID 61067426) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
PubChem CID61067426
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNO2S2/c1-11(6-7-2-3-7)15(12,13)9-8(10)4-5-14-9/h4-5,7H,2-3,6H2,1H3
InChIKeyNDXKBMDZKAKFPT-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-methyl-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 54952444
3-bromo-N-(cyclobutylmethyl)-N-ethylthiophene-2-sulfonamide
CID 107400610
3-bromo-N-cyclopentyl-N-methylthiophene-2-sulfonamide
CID 61073287
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
3-bromo-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 54951868
3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 54952440
3-bromo-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61072196
3-bromo-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61456214
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
3-bromo-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61456259

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide (CID 61067426) is 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide is CN(CC1CC1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide?
The InChIKey is NDXKBMDZKAKFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-11(6-7-2-3-7)15(12,13)9-8(10)4-5-14-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide?
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61067426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).