3-[methyl(2-propylsulfonylethyl)amino]butanimidamide

C10H23N3O2S — CID 106725449

IUPAC3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCS(=O)(=O)CCC
InChIInChI=1S/C10H23N3O2S/c1-4-6-16(14,15)7-5-13(3)9(2)8-10(11)12/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeyMBMKBZQZOVQCBK-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.46
Rot. Bonds8

About 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide

3-[methyl(2-propylsulfonylethyl)amino]butanimidamide (PubChem CID 106725449) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
PubChem CID106725449
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(C)CCS(=O)(=O)CCC
InChIInChI=1S/C10H23N3O2S/c1-4-6-16(14,15)7-5-13(3)9(2)8-10(11)12/h9H,4-8H2,1-3H3,(H3,11,12)
InChIKeyMBMKBZQZOVQCBK-UHFFFAOYSA-N
XLogP0.46
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(2-propylsulfonylethyl)amino]butanethioamide
CID 106724853
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
3-[ethyl(propyl)amino]butanimidamide
CID 60913163
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
3-(diethylamino)butanimidamide
CID 60913341
1-chloro-N-(2-ethylsulfonylethyl)-N-methylpropan-2-amine
CID 106731281
2-[propyl(sulfamoyl)amino]ethanimidamide
CID 114959687
3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide?
The IUPAC name of 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide (CID 106725449) is 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide.
What is the SMILES notation for 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide?
The canonical SMILES for 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(C)CCS(=O)(=O)CCC.
What is the InChIKey of 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide?
The InChIKey is MBMKBZQZOVQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-4-6-16(14,15)7-5-13(3)9(2)8-10(11)12/h9H,4-8H2,1-3H3,(H3,11,12).
What are the key properties of 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide?
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide has a molecular weight of 249.38 g/mol, XLogP of 0.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-propylsulfonylethyl)amino]butanimidamide is sourced from PubChem (CID 106725449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).