N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine

C13H23N3O2S — CID 106719864

IUPACN-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(CNC2CC2)c1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)19(17,18)7-6-16-9-12(15-10-16)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyCHVWOOVDNQKUFK-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds6

About N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106719864) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106719864
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(CNC2CC2)c1
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)19(17,18)7-6-16-9-12(15-10-16)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3
InChIKeyCHVWOOVDNQKUFK-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719755
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719505
1-(2-tert-butylsulfonylethyl)-4-(chloromethyl)imidazole
CID 106720710
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
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-[3-(dimethylamino)-2,2-dimethylpropyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114203981
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-[[1-(2,2,2-trifluoroethoxymethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 106719983
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N-methylacetamide
CID 106719702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine (CID 106719864) is N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine is CC(C)(C)S(=O)(=O)CCn1cnc(CNC2CC2)c1.
What is the InChIKey of N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CHVWOOVDNQKUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)19(17,18)7-6-16-9-12(15-10-16)8-14-11-4-5-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 285.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-tert-butylsulfonylethyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106719864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).