N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine

C10H24N2O2S — CID 63191501

IUPACN',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
SMILESCN(C)CCCCNCCCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-12(2)9-5-4-7-11-8-6-10-15(3,13)14/h11H,4-10H2,1-3H3
InChIKeyXNTRWWQORJQZIK-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.35
Rot. Bonds9

About N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine

N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine (PubChem CID 63191501) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
PubChem CID63191501
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
SMILESCN(C)CCCCNCCCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-12(2)9-5-4-7-11-8-6-10-15(3,13)14/h11H,4-10H2,1-3H3
InChIKeyXNTRWWQORJQZIK-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
CID 61037616
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
CID 107757347

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine (CID 63191501) is N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine is CN(C)CCCCNCCCS(C)(=O)=O.
What is the InChIKey of N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine?
The InChIKey is XNTRWWQORJQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-12(2)9-5-4-7-11-8-6-10-15(3,13)14/h11H,4-10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine?
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.35, 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-(3-methylsulfonylpropyl)butane-1,4-diamine is sourced from PubChem (CID 63191501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).