N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine

C12H28N2O2S — CID 107757347

IUPACN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
SMILESCC(C)C(C)S(=O)(=O)CCNCCCN(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2)12(3)17(15,16)10-8-13-7-6-9-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyJGVRIDJPCSSECM-UHFFFAOYSA-N
MW264.43 g/mol
LogP0.99
Rot. Bonds9

About N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine (PubChem CID 107757347) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
PubChem CID107757347
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
SMILESCC(C)C(C)S(=O)(=O)CCNCCCN(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2)12(3)17(15,16)10-8-13-7-6-9-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyJGVRIDJPCSSECM-UHFFFAOYSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
CID 107757362
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
N-(2-chloro-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 114526723
N'-[3-(dimethylamino)propyl-ethylsulfamoyl]-N-ethyl-N'-methylpropane-1,3-diamine
CID 102998612
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
propan-2-yl 4-[3-(dimethylamino)propylamino]butanoate
CID 176847229

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine (CID 107757347) is N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine is CC(C)C(C)S(=O)(=O)CCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine?
The InChIKey is JGVRIDJPCSSECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-11(2)12(3)17(15,16)10-8-13-7-6-9-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine has a molecular weight of 264.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 107757347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).