N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide

C11H18N2O2S — CID 129191304

IUPACN-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide
SMILESCC(C)(C)Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)8-9-5-6-12-10(7-9)13-16(4,14)15/h5-7H,8H2,1-4H3,(H,12,13)
InChIKeyHUTPENBCFXKQHY-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.04
Rot. Bonds3

About N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide

N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide (PubChem CID 129191304) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide
PubChem CID129191304
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide
SMILESCC(C)(C)Cc1ccnc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H18N2O2S/c1-11(2,3)8-9-5-6-12-10(7-9)13-16(4,14)15/h5-7H,8H2,1-4H3,(H,12,13)
InChIKeyHUTPENBCFXKQHY-UHFFFAOYSA-N
XLogP2.04
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide (CID 129191304) is N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide is CC(C)(C)Cc1ccnc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is HUTPENBCFXKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-11(2,3)8-9-5-6-12-10(7-9)13-16(4,14)15/h5-7H,8H2,1-4H3,(H,12,13).
What are the key properties of N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide?
N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 129191304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).