3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine

C10H24N2O2S — CID 56618829

IUPAC3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)CCCN(C)C
InChIInChI=1S/C10H24N2O2S/c1-11(2)7-5-9-15(13,14)10-6-8-12(3)4/h5-10H2,1-4H3
InChIKeyZCFYUFDEMVQEOK-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.30
Rot. Bonds8

About 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine

3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine (PubChem CID 56618829) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine
PubChem CID56618829
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCS(=O)(=O)CCCN(C)C
InChIInChI=1S/C10H24N2O2S/c1-11(2)7-5-9-15(13,14)10-6-8-12(3)4/h5-10H2,1-4H3
InChIKeyZCFYUFDEMVQEOK-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine (CID 56618829) is 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine is CN(C)CCCS(=O)(=O)CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZCFYUFDEMVQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-11(2)7-5-9-15(13,14)10-6-8-12(3)4/h5-10H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine?
3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine has a molecular weight of 236.38 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylsulfonyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 56618829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).