N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine

C10H17N3O2S — CID 54337128

IUPACN',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-13(2)8-7-11-9-5-4-6-10(12-9)16(3,14)15/h4-6H,7-8H2,1-3H3,(H,11,12)
InChIKeyTWGNAXREWWIKOS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.46
Rot. Bonds5

About N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine

N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 54337128) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID54337128
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCN(C)CCNc1cccc(S(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O2S/c1-13(2)8-7-11-9-5-4-6-10(12-9)16(3,14)15/h4-6H,7-8H2,1-3H3,(H,11,12)
InChIKeyTWGNAXREWWIKOS-UHFFFAOYSA-N
XLogP0.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine (CID 54337128) is N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine is CN(C)CCNc1cccc(S(C)(=O)=O)n1.
What is the InChIKey of N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is TWGNAXREWWIKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(2)8-7-11-9-5-4-6-10(12-9)16(3,14)15/h4-6H,7-8H2,1-3H3,(H,11,12).
What are the key properties of N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 243.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 54337128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).