N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide

C10H24N2O3S — CID 106050688

IUPACN-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC(C)COC
InChIInChI=1S/C10H24N2O3S/c1-10(9-15-3)8-12-16(13,14)7-5-4-6-11-2/h10-12H,4-9H2,1-3H3
InChIKeyYOQBQEQKJHGEST-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.19
Rot. Bonds10

About N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide

N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106050688) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106050688
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)NCC(C)COC
InChIInChI=1S/C10H24N2O3S/c1-10(9-15-3)8-12-16(13,14)7-5-4-6-11-2/h10-12H,4-9H2,1-3H3
InChIKeyYOQBQEQKJHGEST-UHFFFAOYSA-N
XLogP0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.19
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

3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
N-[2-(2-methoxyethoxy)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114140768
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
4-(methylamino)-N-[(1-propan-2-ylcyclopropyl)methyl]butane-1-sulfonamide
CID 114114593
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114141026
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
4-(methylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063521
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide (CID 106050688) is N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)NCC(C)COC.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is YOQBQEQKJHGEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-10(9-15-3)8-12-16(13,14)7-5-4-6-11-2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide?
N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106050688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).