2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H23BrN2O2S2 — CID 106084740

IUPAC2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NC(C)C2CCC2)c(Br)s1
InChIInChI=1S/C14H23BrN2O2S2/c1-9(2)16-8-12-7-13(14(15)20-12)21(18,19)17-10(3)11-5-4-6-11/h7,9-11,16-17H,4-6,8H2,1-3H3
InChIKeyAUYRKPNOLUMYEC-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.48
Rot. Bonds7

About 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106084740) has the molecular formula C14H23BrN2O2S2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106084740
Molecular FormulaC14H23BrN2O2S2
Molecular Weight395.39 g/mol
Exact Mass394.04
IUPAC Name2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NC(C)C2CCC2)c(Br)s1
InChIInChI=1S/C14H23BrN2O2S2/c1-9(2)16-8-12-7-13(14(15)20-12)21(18,19)17-10(3)11-5-4-6-11/h7,9-11,16-17H,4-6,8H2,1-3H3
InChIKeyAUYRKPNOLUMYEC-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
2-bromo-N-(1-cyclopropylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065676
2-bromo-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106029847
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
2-bromo-N-(1-methylsulfanylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106083789
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106331861
2-bromo-5-[(cyclopropylamino)methyl]-N-pentan-2-ylthiophene-3-sulfonamide
CID 106046551
2-bromo-N-(4-methoxybutyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053935
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285
2-bromo-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018991

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106084740) is 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NC(C)C2CCC2)c(Br)s1.
What is the InChIKey of 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is AUYRKPNOLUMYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S2/c1-9(2)16-8-12-7-13(14(15)20-12)21(18,19)17-10(3)11-5-4-6-11/h7,9-11,16-17H,4-6,8H2,1-3H3.
What are the key properties of 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 395.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106084740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).