1-amino-N-(2-methoxypropyl)butane-2-sulfonamide

C8H20N2O3S — CID 102697729

IUPAC1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC(C)OC
InChIInChI=1S/C8H20N2O3S/c1-4-8(5-9)14(11,12)10-6-7(2)13-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyRMYYGDNKMYKULE-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds7

About 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide

1-amino-N-(2-methoxypropyl)butane-2-sulfonamide (PubChem CID 102697729) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
PubChem CID102697729
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name1-amino-N-(2-methoxypropyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC(C)OC
InChIInChI=1S/C8H20N2O3S/c1-4-8(5-9)14(11,12)10-6-7(2)13-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyRMYYGDNKMYKULE-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

1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide
CID 83141468
1-amino-N-(2-propan-2-yloxyethyl)butane-2-sulfonamide
CID 104759940
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
2-(2-methylpropylsulfonyl)butan-1-amine
CID 64696769
2-(2-methoxypropylsulfamoyl)ethanethioamide
CID 102698254
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
CID 113481327
2-amino-N-(2-methoxypropyl)pyrimidine-5-sulfonamide
CID 102700480
1-amino-N-[(3-methylcyclohexyl)methyl]butane-2-sulfonamide
CID 114130293
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
3-[[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]methyl]pentanoic acid
CID 81065444
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide (CID 102697729) is 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCC(C)OC.
What is the InChIKey of 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide?
The InChIKey is RMYYGDNKMYKULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-4-8(5-9)14(11,12)10-6-7(2)13-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide?
1-amino-N-(2-methoxypropyl)butane-2-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 1-amino-N-(2-methoxypropyl)butane-2-sulfonamide is sourced from PubChem (CID 102697729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).