[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane

C13H29N3O3S — CID 106085300

IUPAC[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
SMILESCC(C)COCCNS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C13H29N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(3)9-4-7-14-13-5-6-13/h12-15H,4-11H2,1-3H3
InChIKeyKVKVOIHBKGZMDQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.57
Rot. Bonds12

About [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane

[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane (PubChem CID 106085300) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane.

Molecular Properties

Compound Name[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
PubChem CID106085300
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
SMILESCC(C)COCCNS(=O)(=O)N(C)CCCNC1CC1
InChIInChI=1S/C13H29N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(3)9-4-7-14-13-5-6-13/h12-15H,4-11H2,1-3H3
InChIKeyKVKVOIHBKGZMDQ-UHFFFAOYSA-N
XLogP0.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
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-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
CID 106085328
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
N-[4-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445498
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
[3-[methyl(3-methylpentan-3-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106331865
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
CID 119987276
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
4-[2-[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]ethyl]-2-methyl-1,3-thiazole
CID 106094989

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The IUPAC name of [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane (CID 106085300) is [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane.
What is the SMILES notation for [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The canonical SMILES for [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane is CC(C)COCCNS(=O)(=O)N(C)CCCNC1CC1.
What is the InChIKey of [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The InChIKey is KVKVOIHBKGZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(3)9-4-7-14-13-5-6-13/h12-15H,4-11H2,1-3H3.
What are the key properties of [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane has a molecular weight of 307.46 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 [3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane is sourced from PubChem (CID 106085300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).