3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide

C8H20N2O3S — CID 104759977

IUPAC3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O3S/c1-8(2,13-3)7-10-14(11,12)6-4-5-9/h10H,4-7,9H2,1-3H3
InChIKeyFCTHZIGPICTZAX-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds7

About 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide

3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide (PubChem CID 104759977) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
PubChem CID104759977
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)CCCN
InChIInChI=1S/C8H20N2O3S/c1-8(2,13-3)7-10-14(11,12)6-4-5-9/h10H,4-7,9H2,1-3H3
InChIKeyFCTHZIGPICTZAX-UHFFFAOYSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
N-(2-methoxy-2-methylpropyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 104762864
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
3-amino-N-(2-methylbutyl)propane-1-sulfonamide
CID 62694759
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
3-chloro-N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114943825
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide (CID 104759977) is 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide is COC(C)(C)CNS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
The InChIKey is FCTHZIGPICTZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-8(2,13-3)7-10-14(11,12)6-4-5-9/h10H,4-7,9H2,1-3H3.
What are the key properties of 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide?
3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 104759977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).