N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine

C9H23N3O3S — CID 106154148

IUPACN'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
SMILESCOCCNS(=O)(=O)NCCCC(C)CN
InChIInChI=1S/C9H23N3O3S/c1-9(8-10)4-3-5-11-16(13,14)12-6-7-15-2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyLPUZSIOQECHRJD-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.57
Rot. Bonds10

About N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine

N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine (PubChem CID 106154148) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
PubChem CID106154148
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC NameN'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
SMILESCOCCNS(=O)(=O)NCCCC(C)CN
InChIInChI=1S/C9H23N3O3S/c1-9(8-10)4-3-5-11-16(13,14)12-6-7-15-2/h9,11-12H,3-8,10H2,1-2H3
InChIKeyLPUZSIOQECHRJD-UHFFFAOYSA-N
XLogP-0.57
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methylhexan-1-amine
CID 64666005
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
N-(2-methoxyethylsulfamoyl)pent-4-yn-1-amine
CID 106223265
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
2-[2-methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
N-[[1-(aminomethyl)cyclopropyl]methylsulfamoyl]-2-methoxyethanamine
CID 114816777
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine (CID 106154148) is N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine is COCCNS(=O)(=O)NCCCC(C)CN.
What is the InChIKey of N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine?
The InChIKey is LPUZSIOQECHRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-9(8-10)4-3-5-11-16(13,14)12-6-7-15-2/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine?
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine has a molecular weight of 253.37 g/mol, XLogP of -0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 106154148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).