N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide

C14H23NO2S — CID 110787932

IUPACN-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1CCNS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-18(5,16)17/h6-7,10,15H,8-9H2,1-5H3
InChIKeyDKLDHAVSHIAGGM-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide

N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide (PubChem CID 110787932) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
PubChem CID110787932
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1CCNS(C)(=O)=O
InChIInChI=1S/C14H23NO2S/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-18(5,16)17/h6-7,10,15H,8-9H2,1-5H3
InChIKeyDKLDHAVSHIAGGM-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227143
[2-(5-tert-butyl-2-methylphenyl)ethylamino]methanol
CID 115229280
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]ethanethiol
CID 115224198
2-[2-(5-tert-butyl-2-methylphenyl)ethylamino]acetonitrile
CID 115131196
N'-[2-(5-tert-butyl-2-methylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195966
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
1-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]propane-1,2-diamine
CID 115196764
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
4-(5-tert-butyl-2-methylphenyl)butane-1-thiol
CID 94686954

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide (CID 110787932) is N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide is Cc1ccc(C(C)(C)C)cc1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is DKLDHAVSHIAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11-6-7-13(14(2,3)4)10-12(11)8-9-15-18(5,16)17/h6-7,10,15H,8-9H2,1-5H3.
What are the key properties of N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide?
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-2-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110787932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).