2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine

C12H22N4O2S — CID 90944152

IUPAC2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine
SMILESCC(C)S(=O)(=O)c1cnc(NCCN(C)C)c(N)c1
InChIInChI=1S/C12H22N4O2S/c1-9(2)19(17,18)10-7-11(13)12(15-8-10)14-5-6-16(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyGSPOIJTXZRRLQO-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.82
Rot. Bonds6

About 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine

2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine (PubChem CID 90944152) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine
PubChem CID90944152
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine
SMILESCC(C)S(=O)(=O)c1cnc(NCCN(C)C)c(N)c1
InChIInChI=1S/C12H22N4O2S/c1-9(2)19(17,18)10-7-11(13)12(15-8-10)14-5-6-16(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,15)
InChIKeyGSPOIJTXZRRLQO-UHFFFAOYSA-N
XLogP0.82
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine (CID 90944152) is 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine is CC(C)S(=O)(=O)c1cnc(NCCN(C)C)c(N)c1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine?
The InChIKey is GSPOIJTXZRRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)19(17,18)10-7-11(13)12(15-8-10)14-5-6-16(3)4/h7-9H,5-6,13H2,1-4H3,(H,14,15).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine?
2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine has a molecular weight of 286.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-5-propan-2-ylsulfonylpyridine-2,3-diamine is sourced from PubChem (CID 90944152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).