5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide

C11H19BrN2O3S2 — CID 106068581

IUPAC5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H19BrN2O3S2/c1-3-4-8(7-17-2)14-19(15,16)10-5-9(6-13)18-11(10)12/h5,8,14H,3-4,6-7,13H2,1-2H3
InChIKeyWMBJOOSNVRCWEF-UHFFFAOYSA-N
MW371.32 g/mol
LogP2.06
Rot. Bonds8

About 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide (PubChem CID 106068581) has the molecular formula C11H19BrN2O3S2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
PubChem CID106068581
Molecular FormulaC11H19BrN2O3S2
Molecular Weight371.32 g/mol
Exact Mass370.00
IUPAC Name5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)sc1Br
InChIInChI=1S/C11H19BrN2O3S2/c1-3-4-8(7-17-2)14-19(15,16)10-5-9(6-13)18-11(10)12/h5,8,14H,3-4,6-7,13H2,1-2H3
InChIKeyWMBJOOSNVRCWEF-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(1-methoxypentan-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106068580
5-(aminomethyl)-2-bromo-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106084006
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106020201
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106158328
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068484
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide (CID 106068581) is 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide is CCCC(COC)NS(=O)(=O)c1cc(CN)sc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide?
The InChIKey is WMBJOOSNVRCWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O3S2/c1-3-4-8(7-17-2)14-19(15,16)10-5-9(6-13)18-11(10)12/h5,8,14H,3-4,6-7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide has a molecular weight of 371.32 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106068581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).