N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide

C11H26N2O3S — CID 63859852

IUPACN-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCCOCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H26N2O3S/c1-5-6-8-16-9-7-12-10-11(2,3)13-17(4,14)15/h12-13H,5-10H2,1-4H3
InChIKeyBEZSDSIHNBSHFL-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.72
Rot. Bonds10

About N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859852) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859852
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCCCCOCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H26N2O3S/c1-5-6-8-16-9-7-12-10-11(2,3)13-17(4,14)15/h12-13H,5-10H2,1-4H3
InChIKeyBEZSDSIHNBSHFL-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.72
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-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
N-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-methylsulfonylpropan-1-amine
CID 104561861
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860753
3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
methyl 3-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanoate
CID 63860915
N-[2-(3-methoxypropoxy)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103179174
N-ethyl-2-(3-methylsulfonylpropoxy)ethanamine
CID 63191293

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 63859852) is N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide is CCCCOCCNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is BEZSDSIHNBSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-6-8-16-9-7-12-10-11(2,3)13-17(4,14)15/h12-13H,5-10H2,1-4H3.
What are the key properties of N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).