1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane

C12H29N3O2S — CID 106017119

IUPAC1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
SMILESCCNCCCN(C)S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C12H29N3O2S/c1-5-13-9-7-11-15(4)18(16,17)14-10-6-8-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRFJSIRJTGSEPSV-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.19
Rot. Bonds11

About 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane

1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane (PubChem CID 106017119) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane.

Molecular Properties

Compound Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
PubChem CID106017119
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
SMILESCCNCCCN(C)S(=O)(=O)NCCCC(C)C
InChIInChI=1S/C12H29N3O2S/c1-5-13-9-7-11-15(4)18(16,17)14-10-6-8-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRFJSIRJTGSEPSV-UHFFFAOYSA-N
XLogP1.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.19
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

4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 106058175
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
1-[2-[di(propan-2-yl)amino]ethylsulfamoyl-methylamino]-3-(methylamino)propane
CID 106041029
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
2-[methyl-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]ethyl]amino]butane
CID 106094290
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane?
The IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane (CID 106017119) is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane.
What is the SMILES notation for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane?
The canonical SMILES for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane is CCNCCCN(C)S(=O)(=O)NCCCC(C)C.
What is the InChIKey of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane?
The InChIKey is RFJSIRJTGSEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-5-13-9-7-11-15(4)18(16,17)14-10-6-8-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane?
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane has a molecular weight of 279.45 g/mol, XLogP of 1.19, 11 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]-4-methylpentane is sourced from PubChem (CID 106017119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).