N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine

C11H19N3O2S — CID 106719755

IUPACN-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1cnc(CNC2CC2)c1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-8-11(13-9-14)7-12-10-3-4-10/h8-10,12H,2-7H2,1H3
InChIKeyKUTYKXNNNVIUBL-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.57
Rot. Bonds7

About N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719755) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719755
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCn1cnc(CNC2CC2)c1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-8-11(13-9-14)7-12-10-3-4-10/h8-10,12H,2-7H2,1H3
InChIKeyKUTYKXNNNVIUBL-UHFFFAOYSA-N
XLogP0.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719864
N-[[1-(3-methylsulfonylpropyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192433
N-[[1-(2-propoxyethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719730
N-[[1-(2-methylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719854
N-[(1-ethylimidazol-4-yl)methyl]cyclobutanamine
CID 117191740
N-[[1-(2-methylsulfonylethyl)imidazol-4-yl]methyl]ethanamine
CID 106718661
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719837
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106719702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine (CID 106719755) is N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine is CS(=O)(=O)CCCn1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KUTYKXNNNVIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-17(15,16)6-2-5-14-8-11(13-9-14)7-12-10-3-4-10/h8-10,12H,2-7H2,1H3.
What are the key properties of N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 257.36 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).