6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C15H27N3O2S — CID 5267853

IUPAC6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C15H27N3O2S/c1-7-17(8-2)15-10-9-14(11-16-15)21(19,20)18(12(3)4)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeyBWQMHMBHCBCBIN-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.74
Rot. Bonds7

About 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 5267853) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID5267853
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1
InChIInChI=1S/C15H27N3O2S/c1-7-17(8-2)15-10-9-14(11-16-15)21(19,20)18(12(3)4)13(5)6/h9-13H,7-8H2,1-6H3
InChIKeyBWQMHMBHCBCBIN-UHFFFAOYSA-N
XLogP2.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 5267853) is 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1.
What is the InChIKey of 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is BWQMHMBHCBCBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-7-17(8-2)15-10-9-14(11-16-15)21(19,20)18(12(3)4)13(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 5267853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).