2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide

C10H24N2O3S — CID 102676267

IUPAC2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C10H24N2O3S/c1-9(8-10(2,3)15-5)12-6-7-16(13,14)11-4/h9,11-12H,6-8H2,1-5H3
InChIKeyXESWFWNYRWDREK-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds8

About 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide

2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide (PubChem CID 102676267) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
PubChem CID102676267
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(C)CC(C)(C)OC
InChIInChI=1S/C10H24N2O3S/c1-9(8-10(2,3)15-5)12-6-7-16(13,14)11-4/h9,11-12H,6-8H2,1-5H3
InChIKeyXESWFWNYRWDREK-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 75515328
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-(3,3-dimethylbutyl)-4-methoxy-4-methylpentan-2-amine
CID 115712795
4-methoxy-4-methyl-N-(2-propan-2-yloxyethyl)pentan-2-amine
CID 104584741
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
3-[(4-methoxy-4-methylpentan-2-yl)amino]propanenitrile
CID 43147229
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-ol
CID 65103997

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide (CID 102676267) is 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC(C)CC(C)(C)OC.
What is the InChIKey of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide?
The InChIKey is XESWFWNYRWDREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-9(8-10(2,3)15-5)12-6-7-16(13,14)11-4/h9,11-12H,6-8H2,1-5H3.
What are the key properties of 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide?
2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102676267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).