N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine

C9H17N3OS — CID 115763931

IUPACN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCc1ncc(CNCC(C)S(C)=O)[nH]1
InChIInChI=1S/C9H17N3OS/c1-7(14(3)13)4-10-5-9-6-11-8(2)12-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyQGTZPBZWYCUZQK-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.57
Rot. Bonds5

About N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine

N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115763931) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115763931
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC NameN-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine
SMILESCc1ncc(CNCC(C)S(C)=O)[nH]1
InChIInChI=1S/C9H17N3OS/c1-7(14(3)13)4-10-5-9-6-11-8(2)12-9/h6-7,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyQGTZPBZWYCUZQK-UHFFFAOYSA-N
XLogP0.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine (CID 115763931) is N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine is Cc1ncc(CNCC(C)S(C)=O)[nH]1.
What is the InChIKey of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is QGTZPBZWYCUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7(14(3)13)4-10-5-9-6-11-8(2)12-9/h6-7,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine?
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 215.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115763931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).