N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide

C13H18N4O3S — CID 106545736

IUPACN-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccnc1C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18N4O3S/c1-9(12(18)16-13(2,3)4)17-21(19,20)11-6-5-7-15-10(11)8-14/h5-7,9,17H,1-4H3,(H,16,18)
InChIKeySNNXUKUNVFHZGK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.53
Rot. Bonds4

About N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide

N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide (PubChem CID 106545736) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
PubChem CID106545736
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cccnc1C#N)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18N4O3S/c1-9(12(18)16-13(2,3)4)17-21(19,20)11-6-5-7-15-10(11)8-14/h5-7,9,17H,1-4H3,(H,16,18)
InChIKeySNNXUKUNVFHZGK-UHFFFAOYSA-N
XLogP0.53
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 106546179
2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545698
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide (CID 106545736) is N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cccnc1C#N)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide?
The InChIKey is SNNXUKUNVFHZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9(12(18)16-13(2,3)4)17-21(19,20)11-6-5-7-15-10(11)8-14/h5-7,9,17H,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide?
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide has a molecular weight of 310.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide is sourced from PubChem (CID 106545736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).