N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide

C9H13BrN2O2S2 — CID 115301357

IUPACN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
SMILESNC(CNS(=O)(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C9H13BrN2O2S2/c10-7-3-4-15-9(7)16(13,14)12-5-8(11)6-1-2-6/h3-4,6,8,12H,1-2,5,11H2
InChIKeyOOJPNXHMHCHRLM-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.53
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide

N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide (PubChem CID 115301357) has the molecular formula C9H13BrN2O2S2 and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
PubChem CID115301357
Molecular FormulaC9H13BrN2O2S2
Molecular Weight325.25 g/mol
Exact Mass323.96
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
SMILESNC(CNS(=O)(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C9H13BrN2O2S2/c10-7-3-4-15-9(7)16(13,14)12-5-8(11)6-1-2-6/h3-4,6,8,12H,1-2,5,11H2
InChIKeyOOJPNXHMHCHRLM-UHFFFAOYSA-N
XLogP1.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
3-bromo-N-(cyclohexylmethyl)thiophene-2-sulfonamide
CID 61074456
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-bromothiophene-2-sulfonamide
CID 61457857
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 103838056
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-carboxamide
CID 115301004
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
N-(2-amino-1-cyclohexylethyl)-3-bromothiophene-2-sulfonamide
CID 115309366
3-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-sulfonamide
CID 65121729
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide (CID 115301357) is N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide is NC(CNS(=O)(=O)c1sccc1Br)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide?
The InChIKey is OOJPNXHMHCHRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S2/c10-7-3-4-15-9(7)16(13,14)12-5-8(11)6-1-2-6/h3-4,6,8,12H,1-2,5,11H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide has a molecular weight of 325.25 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide is sourced from PubChem (CID 115301357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).