1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine

C12H28N4O2S — CID 55142284

IUPAC1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
SMILESCC(CNS(=O)(=O)N(C)CCCN)CN1CCCC1
InChIInChI=1S/C12H28N4O2S/c1-12(11-16-8-3-4-9-16)10-14-19(17,18)15(2)7-5-6-13/h12,14H,3-11,13H2,1-2H3
InChIKeyFMBXSASREJXQON-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.17
Rot. Bonds9

About 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine

1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine (PubChem CID 55142284) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
PubChem CID55142284
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
SMILESCC(CNS(=O)(=O)N(C)CCCN)CN1CCCC1
InChIInChI=1S/C12H28N4O2S/c1-12(11-16-8-3-4-9-16)10-14-19(17,18)15(2)7-5-6-13/h12,14H,3-11,13H2,1-2H3
InChIKeyFMBXSASREJXQON-UHFFFAOYSA-N
XLogP-0.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]butanoic acid
CID 62991707
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
3-[(2-methyl-3-pyrrolidin-1-ylpropyl)sulfamoyl]propanoic acid
CID 62989593

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The IUPAC name of 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine (CID 55142284) is 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine.
What is the SMILES notation for 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The canonical SMILES for 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine is CC(CNS(=O)(=O)N(C)CCCN)CN1CCCC1.
What is the InChIKey of 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The InChIKey is FMBXSASREJXQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-12(11-16-8-3-4-9-16)10-14-19(17,18)15(2)7-5-6-13/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine?
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine has a molecular weight of 292.45 g/mol, XLogP of -0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 55142284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).