[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine

C8H15N3O2S — CID 66149963

IUPAC[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine
SMILESCC(CS(C)(=O)=O)n1cncc1CN
InChIInChI=1S/C8H15N3O2S/c1-7(5-14(2,12)13)11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3
InChIKeyHFOPADNZWCGYHH-UHFFFAOYSA-N
MW217.29 g/mol
LogP-0.05
Rot. Bonds4

About [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine

[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine (PubChem CID 66149963) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine
PubChem CID66149963
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine
SMILESCC(CS(C)(=O)=O)n1cncc1CN
InChIInChI=1S/C8H15N3O2S/c1-7(5-14(2,12)13)11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3
InChIKeyHFOPADNZWCGYHH-UHFFFAOYSA-N
XLogP-0.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-1-(1-methylsulfonylpropan-2-yl)imidazole
CID 66149591
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66150173
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583
[3-[1-(2-chlorophenyl)ethyl]imidazol-4-yl]methanamine
CID 66149048
(3-benzhydrylimidazol-4-yl)methanamine
CID 66146726
[3-[1-(2,5-dimethylfuran-3-yl)ethyl]imidazol-4-yl]methanamine
CID 114705228
2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
CID 114719540
[3-[1-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66148189
[3-(4-methylpentan-2-yl)imidazol-4-yl]methanol
CID 66151234
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
2-[[4-(1-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64641691
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine (CID 66149963) is [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine is CC(CS(C)(=O)=O)n1cncc1CN.
What is the InChIKey of [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine?
The InChIKey is HFOPADNZWCGYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-7(5-14(2,12)13)11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3.
What are the key properties of [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine?
[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine has a molecular weight of 217.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66149963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).