[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride

C10H24ClN3O2S — CID 120716511

IUPAC[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride
SMILESCCCNCCNS(=O)(=O)N(C)CC1CC1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-6-11-7-8-12-16(14,15)13(2)9-10-4-5-10;/h10-12H,3-9H2,1-2H3;1H
InChIKeyRBSCHCPGLMDBLW-UHFFFAOYSA-N
MW285.84 g/mol
LogP0.58
Rot. Bonds9

About [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride

[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride (PubChem CID 120716511) has the molecular formula C10H24ClN3O2S and a molecular weight of 285.84 g/mol. Its IUPAC name is [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride.

Molecular Properties

Compound Name[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride
PubChem CID120716511
Molecular FormulaC10H24ClN3O2S
Molecular Weight285.84 g/mol
Exact Mass285.13
IUPAC Name[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride
SMILESCCCNCCNS(=O)(=O)N(C)CC1CC1.Cl
InChIInChI=1S/C10H23N3O2S.ClH/c1-3-6-11-7-8-12-16(14,15)13(2)9-10-4-5-10;/h10-12H,3-9H2,1-2H3;1H
InChIKeyRBSCHCPGLMDBLW-UHFFFAOYSA-N
XLogP0.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride?
The IUPAC name of [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride (CID 120716511) is [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride.
What is the SMILES notation for [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride?
The canonical SMILES for [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride is CCCNCCNS(=O)(=O)N(C)CC1CC1.Cl.
What is the InChIKey of [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride?
The InChIKey is RBSCHCPGLMDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S.ClH/c1-3-6-11-7-8-12-16(14,15)13(2)9-10-4-5-10;/h10-12H,3-9H2,1-2H3;1H.
What are the key properties of [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride?
[methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-[2-(propylamino)ethylsulfamoyl]amino]methylcyclopropane;hydrochloride is sourced from PubChem (CID 120716511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).