1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane

C12H29N3O3S — CID 106068275

IUPAC1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
SMILESCCCNCCCN(C)S(=O)(=O)NC(CC)COC
InChIInChI=1S/C12H29N3O3S/c1-5-8-13-9-7-10-15(3)19(16,17)14-12(6-2)11-18-4/h12-14H,5-11H2,1-4H3
InChIKeyXPIYUAVJMOLWJA-UHFFFAOYSA-N
MW295.45 g/mol
LogP0.57
Rot. Bonds12

About 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane

1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane (PubChem CID 106068275) has the molecular formula C12H29N3O3S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane.

Molecular Properties

Compound Name1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
PubChem CID106068275
Molecular FormulaC12H29N3O3S
Molecular Weight295.45 g/mol
Exact Mass295.19
IUPAC Name1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
SMILESCCCNCCCN(C)S(=O)(=O)NC(CC)COC
InChIInChI=1S/C12H29N3O3S/c1-5-8-13-9-7-10-15(3)19(16,17)14-12(6-2)11-18-4/h12-14H,5-11H2,1-4H3
InChIKeyXPIYUAVJMOLWJA-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 50.57
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

2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
CID 106086751
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]piperidine
CID 106075281
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
CID 106063912
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane?
The IUPAC name of 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane (CID 106068275) is 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane.
What is the SMILES notation for 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane?
The canonical SMILES for 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane is CCCNCCCN(C)S(=O)(=O)NC(CC)COC.
What is the InChIKey of 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane?
The InChIKey is XPIYUAVJMOLWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O3S/c1-5-8-13-9-7-10-15(3)19(16,17)14-12(6-2)11-18-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane?
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane has a molecular weight of 295.45 g/mol, XLogP of 0.57, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane is sourced from PubChem (CID 106068275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).