N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide

C11H24N2O3S — CID 114632602

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7,12H2,1-4H3
InChIKeyXVCHNDKJTMSIBC-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.46
Rot. Bonds6

About N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 114632602) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID114632602
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7,12H2,1-4H3
InChIKeyXVCHNDKJTMSIBC-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 64850336
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]propane-1-sulfonamide
CID 64851155
N-[(3-aminocyclobutyl)methyl]-3-methoxypropane-1-sulfonamide
CID 66004552
N-[(3-aminocyclobutyl)methyl]-2-methoxyethanesulfonamide
CID 66004761
N-[(3-aminocyclobutyl)methyl]-2-ethoxyethanesulfonamide
CID 66007342
3-methoxy-N-[3-(3-methoxypropylsulfonylamino)-2,2,4,4-tetramethylcyclobutyl]propane-1-sulfonamide
CID 75534456
N-(2-amino-4-methylpentyl)-2-propan-2-yloxyethanesulfonamide
CID 79594312
N-(3-aminocyclobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79594397
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594749
N-(1-aminopentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 79594864
N-[(3-aminocyclobutyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600522
N-[(3-aminocyclobutyl)methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide
CID 79600523

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide (CID 114632602) is N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NC1CC(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is XVCHNDKJTMSIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-8(2)16-5-6-17(14,15)13-10-7-9(12)11(10,3)4/h8-10,13H,5-7,12H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 114632602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).