N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide

C9H22N2O3S — CID 115365924

IUPACN-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)CN
InChIInChI=1S/C9H22N2O3S/c1-9(2,7-10)8-11-15(12,13)6-4-5-14-3/h11H,4-8,10H2,1-3H3
InChIKeyDYTRIAQAOGVNKW-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.07
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide (PubChem CID 115365924) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
PubChem CID115365924
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC(C)(C)CN
InChIInChI=1S/C9H22N2O3S/c1-9(2,7-10)8-11-15(12,13)6-4-5-14-3/h11H,4-8,10H2,1-3H3
InChIKeyDYTRIAQAOGVNKW-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
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-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113347924
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 104759977
N-[3-(aminomethyl)pentan-3-yl]-3-methoxypropane-1-sulfonamide
CID 63290201
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146352889
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide (CID 115365924) is N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is DYTRIAQAOGVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2,7-10)8-11-15(12,13)6-4-5-14-3/h11H,4-8,10H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide 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-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 115365924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).