N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide

C13H22N2O3S — CID 62003809

IUPACN-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H22N2O3S/c1-11(2)14-9-10-19(16,17)15(3)12-7-5-6-8-13(12)18-4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPJCYYFAYXLGHIU-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.46
Rot. Bonds7

About N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide

N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 62003809) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID62003809
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C13H22N2O3S/c1-11(2)14-9-10-19(16,17)15(3)12-7-5-6-8-13(12)18-4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyPJCYYFAYXLGHIU-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)sulfonylethyl]propan-2-amine
CID 64673696
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
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N-methyl-N-phenyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973831
N-(4-methoxyphenyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62002866
N-(2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
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N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-(2-methoxyphenyl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259584
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
CID 28793949
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 103293007
2-[1-(2-ethoxyphenyl)ethylamino]-N,N-dimethylethanesulfonamide
CID 106335143
2-methoxy-N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 62430750

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide (CID 62003809) is N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide is COc1ccccc1N(C)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is PJCYYFAYXLGHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)14-9-10-19(16,17)15(3)12-7-5-6-8-13(12)18-4/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide?
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 62003809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).