(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine

C6H16N2O2S — CID 58419914

IUPAC(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine
SMILESCN(C)C[C@@H](N)CS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-8(2)4-6(7)5-11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m1/s1
InChIKeyUQGCADPYHQYJDS-ZCFIWIBFSA-N
MW180.27 g/mol
LogP-1.08
Rot. Bonds4

About (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine

(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine (PubChem CID 58419914) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine
PubChem CID58419914
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine
SMILESCN(C)C[C@@H](N)CS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-8(2)4-6(7)5-11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m1/s1
InChIKeyUQGCADPYHQYJDS-ZCFIWIBFSA-N
XLogP-1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine (CID 58419914) is (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine.
What is the SMILES notation for (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine is CN(C)C[C@@H](N)CS(C)(=O)=O.
What is the InChIKey of (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine?
The InChIKey is UQGCADPYHQYJDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-8(2)4-6(7)5-11(3,9)10/h6H,4-5,7H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine?
(2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine has a molecular weight of 180.27 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,1-N-dimethyl-3-methylsulfonylpropane-1,2-diamine is sourced from PubChem (CID 58419914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).