N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide

C15H24N2O2S — CID 119998764

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)13-5-7-14(8-6-13)15(16)9-17-20(18,19)10-12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3
InChIKeyXENOLYDPKHMPSB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.14
Rot. Bonds7

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 119998764) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID119998764
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
SMILESCC(C)c1ccc(C(N)CNS(=O)(=O)CC2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)13-5-7-14(8-6-13)15(16)9-17-20(18,19)10-12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3
InChIKeyXENOLYDPKHMPSB-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
N-[1-(4-aminophenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 64987899
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
N-(3-chloro-2-methylpropyl)-1-cyclopropylmethanesulfonamide
CID 65036846
1-cyclopropyl-N-(2-ethylbutyl)methanesulfonamide
CID 115673529
(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147251
1-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]methanesulfonamide;hydrochloride
CID 120664757
2-(cyclopropylmethoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43211666
N-(3-amino-3-phenylpropyl)-1-cyclohexylmethanesulfonamide
CID 80505534

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide (CID 119998764) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide is CC(C)c1ccc(C(N)CNS(=O)(=O)CC2CC2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is XENOLYDPKHMPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)13-5-7-14(8-6-13)15(16)9-17-20(18,19)10-12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 119998764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).