N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine

C9H22N2O2S — CID 63190616

IUPACN',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCN(C)CCCNCCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-11(2)8-4-6-10-7-5-9-14(3,12)13/h10H,4-9H2,1-3H3
InChIKeyONJKJISVXJXDMT-UHFFFAOYSA-N
MW222.35 g/mol
LogP-0.04
Rot. Bonds8

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

N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine (PubChem CID 63190616) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
PubChem CID63190616
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
SMILESCN(C)CCCNCCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-11(2)8-4-6-10-7-5-9-14(3,12)13/h10H,4-9H2,1-3H3
InChIKeyONJKJISVXJXDMT-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 5-0.04
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)butane-1,4-diamine
CID 63191501
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[2-(3-methylsulfonylpropylamino)ethyl]methanesulfonamide
CID 63190802
N-[3-(dimethylamino)propyl]-3-methylsulfonylpropanamide
CID 110408260
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]propane-1,3-diamine
CID 107757347
N-(2-methylsulfanylethyl)-3-methylsulfonylpropan-1-amine
CID 58823063
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
CID 61037616
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propylamino)propane-1-sulfonamide
CID 102998606
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
methyl 3-(3-methylsulfonylpropylamino)propanoate
CID 61019742
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine (CID 63190616) is N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine is CN(C)CCCNCCCS(C)(=O)=O.
What is the InChIKey of N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine?
The InChIKey is ONJKJISVXJXDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-11(2)8-4-6-10-7-5-9-14(3,12)13/h10H,4-9H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine?
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine has a molecular weight of 222.35 g/mol, XLogP of -0.04, 8 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)propane-1,3-diamine is sourced from PubChem (CID 63190616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).