(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide

C13H18N4O3S — CID 166228071

IUPAC(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N(C)C
InChIInChI=1S/C13H18N4O3S/c1-9(2)12(17(3)4)13(18)16-21(19,20)11-5-10(6-14)7-15-8-11/h5,7-9,12H,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyFOAMEIGKEZQNCN-GFCCVEGCSA-N
MW310.38 g/mol
LogP0.34
Rot. Bonds5

About (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide

(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide (PubChem CID 166228071) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide
PubChem CID166228071
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N(C)C
InChIInChI=1S/C13H18N4O3S/c1-9(2)12(17(3)4)13(18)16-21(19,20)11-5-10(6-14)7-15-8-11/h5,7-9,12H,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyFOAMEIGKEZQNCN-GFCCVEGCSA-N
XLogP0.34
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide?
The IUPAC name of (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide (CID 166228071) is (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide?
The canonical SMILES for (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide is CC(C)[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)N(C)C.
What is the InChIKey of (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide?
The InChIKey is FOAMEIGKEZQNCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(2)12(17(3)4)13(18)16-21(19,20)11-5-10(6-14)7-15-8-11/h5,7-9,12H,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide?
(2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide has a molecular weight of 310.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyano-3-pyridinyl)sulfonyl]-2-(dimethylamino)-3-methylbutanamide is sourced from PubChem (CID 166228071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).