N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide

C15H24N2O2S — CID 65188828

IUPACN-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-5-11/h6-9,11,14,17H,4-5,10,16H2,1-3H3
InChIKeyGLGDPVLHUOWGDQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.00
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide (PubChem CID 65188828) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
PubChem CID65188828
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-5-11/h6-9,11,14,17H,4-5,10,16H2,1-3H3
InChIKeyGLGDPVLHUOWGDQ-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclopropylethyl)-3-chloro-4-methylbenzenesulfonamide
CID 119986768
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide (CID 65188828) is N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is GLGDPVLHUOWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-5-11/h6-9,11,14,17H,4-5,10,16H2,1-3H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 65188828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).