4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide

C8H20N2O3S — CID 61456565

IUPAC4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
SMILESCOCC(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C8H20N2O3S/c1-8(7-13-2)10-14(11,12)6-4-3-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyHNGPQLIEAYRNAQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds8

About 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide

4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide (PubChem CID 61456565) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
PubChem CID61456565
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
SMILESCOCC(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C8H20N2O3S/c1-8(7-13-2)10-14(11,12)6-4-3-5-9/h8,10H,3-7,9H2,1-2H3
InChIKeyHNGPQLIEAYRNAQ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
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-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
CID 115662705
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
CID 64631627

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide (CID 61456565) is 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide is COCC(C)NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide?
The InChIKey is HNGPQLIEAYRNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(7-13-2)10-14(11,12)6-4-3-5-9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide?
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 61456565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).