N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide

C14H24N2O2S — CID 102676134

IUPACN-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(2)13-5-7-14(8-6-13)12(3)16-9-10-19(17,18)15-4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyQCQYLMVKODBRTR-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.01
Rot. Bonds7

About N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide

N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide (PubChem CID 102676134) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
PubChem CID102676134
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-11(2)13-5-7-14(8-6-13)12(3)16-9-10-19(17,18)15-4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyQCQYLMVKODBRTR-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-pyridin-4-ylethylamino)ethanesulfonamide
CID 102676244
N-methyl-2-(1-pyridin-3-ylethylamino)ethanesulfonamide
CID 102676086
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]ethanesulfonamide
CID 102676052
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanesulfonamide
CID 103716956
2-(1-phenylethylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
CID 45110477
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
(1R)-1-(4-chlorophenyl)-N-(2-propylsulfonylethyl)ethanamine
CID 106724080
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
3-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-N-methylpropane-1-sulfonamide
CID 97353451
1-phenyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103912531
N-(2-methylsulfinylethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 115720610

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide (CID 102676134) is N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide is CNS(=O)(=O)CCNC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide?
The InChIKey is QCQYLMVKODBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)13-5-7-14(8-6-13)12(3)16-9-10-19(17,18)15-4/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide?
N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 102676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).