N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide

C11H18N2O2S — CID 158337829

IUPACN,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide
SMILESCC(C)c1cncc(CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4/h5-7,9H,8H2,1-4H3
InChIKeyIJODURNFPDQHPZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.60
Rot. Bonds4

About N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide

N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide (PubChem CID 158337829) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide
PubChem CID158337829
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide
SMILESCC(C)c1cncc(CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C11H18N2O2S/c1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4/h5-7,9H,8H2,1-4H3
InChIKeyIJODURNFPDQHPZ-UHFFFAOYSA-N
XLogP1.60
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-propan-2-yl-3-pyridinyl)methyl]formamide
CID 142430728
1-(6-chloropyridazin-4-yl)-N,N-dimethylmethanesulfonamide
CID 118504318
methyl 2-(5-propan-2-yl-3-pyridinyl)acetate
CID 20824070
N-[(1S)-1-(5-bromo-3-pyridinyl)ethyl]-N-methylethanesulfonamide
CID 129392312
N,N-dimethyl-5-propan-2-ylpyridine-3-carboxamide
CID 59135268
N-hydroxy-N-methyl-5-propan-2-ylpyridine-3-carboxamide
CID 175633348
3-phenyl-N-[(5-propan-2-yl-3-pyridinyl)methyl]propanamide
CID 138492197
5-propan-2-ylpyridine-3-carbaldehyde;hydrochloride
CID 155943309
2-[(5-bromo-3-pyridinyl)methylsulfonyl]propanoic acid
CID 104797411
(1S)-1-(5-ethylsulfonyl-3-pyridinyl)ethanamine
CID 68652782
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
N,N-dimethyl-2-[(4-propan-2-ylphenyl)methylamino]ethanesulfonamide
CID 106335225

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide (CID 158337829) is N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide is CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide?
The InChIKey is IJODURNFPDQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide?
N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 158337829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).