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

C12H20N2O2S — CID 75431092

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
SMILESCC(C)c1ccc(C(N)CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-9(2)10-4-6-11(7-5-10)12(13)8-14-17(3,15)16/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyMTPVEGLFMUSMEF-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.36
Rot. Bonds5

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide (PubChem CID 75431092) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
PubChem CID75431092
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
SMILESCC(C)c1ccc(C(N)CNS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-9(2)10-4-6-11(7-5-10)12(13)8-14-17(3,15)16/h4-7,9,12,14H,8,13H2,1-3H3
InChIKeyMTPVEGLFMUSMEF-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 119998764
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 119526633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 119976016
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-cyanobenzenesulfonamide
CID 119976036
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119976009
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide (CID 75431092) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide is CC(C)c1ccc(C(N)CNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is MTPVEGLFMUSMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(2)10-4-6-11(7-5-10)12(13)8-14-17(3,15)16/h4-7,9,12,14H,8,13H2,1-3H3.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.36, 5 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]methanesulfonamide is sourced from PubChem (CID 75431092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).