1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane

C12H27N3O2S — CID 114112535

IUPAC1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
SMILESCCCC1CC1NS(=O)(=O)N(C)CCCNCC
InChIInChI=1S/C12H27N3O2S/c1-4-7-11-10-12(11)14-18(16,17)15(3)9-6-8-13-5-2/h11-14H,4-10H2,1-3H3
InChIKeyBUTAXPGHJSOQMO-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.94
Rot. Bonds10

About 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane

1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane (PubChem CID 114112535) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane.

Molecular Properties

Compound Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
PubChem CID114112535
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
SMILESCCCC1CC1NS(=O)(=O)N(C)CCCNCC
InChIInChI=1S/C12H27N3O2S/c1-4-7-11-10-12(11)14-18(16,17)15(3)9-6-8-13-5-2/h11-14H,4-10H2,1-3H3
InChIKeyBUTAXPGHJSOQMO-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-ethyl-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106002882
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane?
The IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane (CID 114112535) is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane.
What is the SMILES notation for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane?
The canonical SMILES for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane is CCCC1CC1NS(=O)(=O)N(C)CCCNCC.
What is the InChIKey of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane?
The InChIKey is BUTAXPGHJSOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-4-7-11-10-12(11)14-18(16,17)15(3)9-6-8-13-5-2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane?
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane has a molecular weight of 277.43 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane is sourced from PubChem (CID 114112535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).