N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide

C12H24N4O2S — CID 95209232

IUPACN-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCc1cc(C)n(C[C@@H](C)NCCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H24N4O2S/c1-10-8-12(3)16(14-10)9-11(2)13-6-7-15(4)19(5,17)18/h8,11,13H,6-7,9H2,1-5H3/t11-/m1/s1
InChIKeyPCIOJGFPCGUWPE-LLVKDONJSA-N
MW288.42 g/mol
LogP0.37
Rot. Bonds7

About N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide

N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide (PubChem CID 95209232) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
PubChem CID95209232
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCc1cc(C)n(C[C@@H](C)NCCN(C)S(C)(=O)=O)n1
InChIInChI=1S/C12H24N4O2S/c1-10-8-12(3)16(14-10)9-11(2)13-6-7-15(4)19(5,17)18/h8,11,13H,6-7,9H2,1-5H3/t11-/m1/s1
InChIKeyPCIOJGFPCGUWPE-LLVKDONJSA-N
XLogP0.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
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N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
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(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide (CID 95209232) is N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide is Cc1cc(C)n(C[C@@H](C)NCCN(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is PCIOJGFPCGUWPE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-10-8-12(3)16(14-10)9-11(2)13-6-7-15(4)19(5,17)18/h8,11,13H,6-7,9H2,1-5H3/t11-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 95209232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).