N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine

C13H25N3O2S — CID 75436605

IUPACN,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)n1ccnc1CN(C)CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-11(2)16-8-7-14-12(16)9-15(5)10-13(3,4)19(6,17)18/h7-8,11H,9-10H2,1-6H3
InChIKeyHUWITHZUYDIFLE-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.72
Rot. Bonds6

About N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine

N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 75436605) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
PubChem CID75436605
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine
SMILESCC(C)n1ccnc1CN(C)CC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H25N3O2S/c1-11(2)16-8-7-14-12(16)9-15(5)10-13(3,4)19(6,17)18/h7-8,11H,9-10H2,1-6H3
InChIKeyHUWITHZUYDIFLE-UHFFFAOYSA-N
XLogP1.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine (CID 75436605) is N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine is CC(C)n1ccnc1CN(C)CC(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is HUWITHZUYDIFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-11(2)16-8-7-14-12(16)9-15(5)10-13(3,4)19(6,17)18/h7-8,11H,9-10H2,1-6H3.
What are the key properties of N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine?
N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonyl-N-[(1-propan-2-ylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 75436605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).