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

C10H24N2O3S — CID 43147237

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

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

N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide (PubChem CID 43147237) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide
PubChem CID43147237
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide
SMILESCOC(C)(C)CC(C)NCCNS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-9(8-10(2,3)15-4)11-6-7-12-16(5,13)14/h9,11-12H,6-8H2,1-5H3
InChIKeyBZWUUUKHCIYYJH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-1,3-dimethylbutyl)-1-(methylsulfonyl)piperidin-4-amine
CID 43628711
2-[(4-Methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 43551690
N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
CID 54903343
N-[1-[(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 55256182
2-[(3-methoxy-1,3-dimethylbutyl)amino]-N,N-dimethylethanesulfonamide
CID 56722886
N-[2-(4-methoxybutan-2-ylamino)ethyl]methanesulfonamide
CID 61864790
3-[(4-Methoxy-4-methylpentan-2-yl)amino]propane-1-sulfonamide
CID 61900752
N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859116
N-[2-[(2,2-dimethyloxan-4-yl)amino]ethyl]methanesulfonamide
CID 64099795
N-[1-[(2,2-dimethyloxan-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 64102734
N-ethyl-2-[(4-methoxy-4-methylpentan-2-yl)amino]ethanesulfonamide
CID 75515328
4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
CID 79552226

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide (CID 43147237) is N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide is COC(C)(C)CC(C)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide?
The InChIKey is BZWUUUKHCIYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-9(8-10(2,3)15-4)11-6-7-12-16(5,13)14/h9,11-12H,6-8H2,1-5H3.
What are the key properties of N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide 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-[(4-methoxy-4-methylpentan-2-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 43147237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).