N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide

C10H24N2O3S — CID 104762864

IUPACN-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-9(2)11-6-7-16(13,14)12-8-10(3,4)15-5/h9,11-12H,6-8H2,1-5H3
InChIKeyLRYATVKOAPNTGI-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds8

About N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 104762864) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID104762864
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)CCNC(C)C
InChIInChI=1S/C10H24N2O3S/c1-9(2)11-6-7-16(13,14)12-8-10(3,4)15-5/h9,11-12H,6-8H2,1-5H3
InChIKeyLRYATVKOAPNTGI-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
2-[(4-methoxy-4-methylpentan-2-yl)amino]-N-methylethanesulfonamide
CID 102676267
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973937
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
2-(propan-2-ylamino)-N-(3-propoxypropyl)ethanesulfonamide
CID 82943401
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 104762864) is N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide is COC(C)(C)CNS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is LRYATVKOAPNTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-9(2)11-6-7-16(13,14)12-8-10(3,4)15-5/h9,11-12H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide 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 N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 104762864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).