N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide

C13H22N2O2S2 — CID 120582292

IUPACN-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)s1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-5-9/h6-7,9-10,15H,4-5,8,14H2,1-3H3
InChIKeyLNKUMNNVRPTBFW-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.06
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide

N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide (PubChem CID 120582292) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
PubChem CID120582292
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)s1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-5-9/h6-7,9-10,15H,4-5,8,14H2,1-3H3
InChIKeyLNKUMNNVRPTBFW-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120582593
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 119974367
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
N-(1-amino-2-methylpropan-2-yl)-5-tert-butylthiophene-2-sulfonamide;hydrochloride
CID 119975669
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 119967115
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide (CID 120582292) is N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC(N)C2CC2)s1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide?
The InChIKey is LNKUMNNVRPTBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-5-9/h6-7,9-10,15H,4-5,8,14H2,1-3H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide?
N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.06, 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)-5-tert-butylthiophene-2-sulfonamide is sourced from PubChem (CID 120582292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).