N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide

C12H18N2O2S2 — CID 120713278

IUPACN-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NCC(N)C1CC1
InChIInChI=1S/C12H18N2O2S2/c1-17-11-4-2-3-5-12(11)18(15,16)14-8-10(13)9-6-7-9/h2-5,9-10,14H,6-8,13H2,1H3
InChIKeyVBFCRNOJOBWICN-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds6

About N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide (PubChem CID 120713278) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
PubChem CID120713278
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
SMILESCSc1ccccc1S(=O)(=O)NCC(N)C1CC1
InChIInChI=1S/C12H18N2O2S2/c1-17-11-4-2-3-5-12(11)18(15,16)14-8-10(13)9-6-7-9/h2-5,9-10,14H,6-8,13H2,1H3
InChIKeyVBFCRNOJOBWICN-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-methylpropyl)-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711544
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(2-amino-2-cyclopropylethyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 120582930
N-[2-(ethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide
CID 120708847
2-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethylbenzenesulfonamide
CID 63759663
2-(2-amino-2-cyclopropylethyl)-N-propylbenzenesulfonamide
CID 63352995
N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
CID 120582292

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide (CID 120713278) is N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide is CSc1ccccc1S(=O)(=O)NCC(N)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide?
The InChIKey is VBFCRNOJOBWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-17-11-4-2-3-5-12(11)18(15,16)14-8-10(13)9-6-7-9/h2-5,9-10,14H,6-8,13H2,1H3.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.42, 6 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)-2-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 120713278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).