N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine

C15H19N3O2S — CID 66141193

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2cncn2C2CC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-21(19,20)15-6-2-12(3-7-15)8-16-9-14-10-17-11-18(14)13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3
InChIKeyDVUVCKYFAMTANU-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.91
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 66141193) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
PubChem CID66141193
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
SMILESCS(=O)(=O)c1ccc(CNCc2cncn2C2CC2)cc1
InChIInChI=1S/C15H19N3O2S/c1-21(19,20)15-6-2-12(3-7-15)8-16-9-14-10-17-11-18(14)13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3
InChIKeyDVUVCKYFAMTANU-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-cyclopropylimidazol-4-yl)methylamino]methyl]phenol
CID 114331505
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 66162946
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
1-(1,3-benzodioxol-5-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]methanamine
CID 66161878
3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
CID 66140791
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
N-[(1-methylpyrrol-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 55039519
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-[(dimethylamino)methyl]aniline
CID 66162533
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 104796856
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 66140786

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine (CID 66141193) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine is CS(=O)(=O)c1ccc(CNCc2cncn2C2CC2)cc1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is DVUVCKYFAMTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21(19,20)15-6-2-12(3-7-15)8-16-9-14-10-17-11-18(14)13-4-5-13/h2-3,6-7,10-11,13,16H,4-5,8-9H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine has a molecular weight of 305.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 66141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).