N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide

C9H22N2O3S — CID 79593799

IUPACN-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(N)CCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)14-6-7-15(12,13)11-5-4-9(3)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeySUWAJWGDPSIUEN-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.07
Rot. Bonds8

About N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide

N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide (PubChem CID 79593799) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
PubChem CID79593799
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
SMILESCC(N)CCNS(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H22N2O3S/c1-8(2)14-6-7-15(12,13)11-5-4-9(3)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeySUWAJWGDPSIUEN-UHFFFAOYSA-N
XLogP0.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
N-[2-(4-aminophenyl)ethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 120715754
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 79601046
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide (CID 79593799) is N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide is CC(N)CCNS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide?
The InChIKey is SUWAJWGDPSIUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-8(2)14-6-7-15(12,13)11-5-4-9(3)10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide?
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide has a molecular weight of 238.35 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79593799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).