N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline

C15H19N3S — CID 66164331

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NCc1cncn1C1CC1
InChIInChI=1S/C15H19N3S/c1-2-19-15-6-4-3-5-14(15)17-10-13-9-16-11-18(13)12-7-8-12/h3-6,9,11-12,17H,2,7-8,10H2,1H3
InChIKeyOEUKJBMUAKDGCP-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.94
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline (PubChem CID 66164331) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
PubChem CID66164331
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NCc1cncn1C1CC1
InChIInChI=1S/C15H19N3S/c1-2-19-15-6-4-3-5-14(15)17-10-13-9-16-11-18(13)12-7-8-12/h3-6,9,11-12,17H,2,7-8,10H2,1H3
InChIKeyOEUKJBMUAKDGCP-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
ethyl 2-[(3-cyclopropylimidazol-4-yl)methylamino]benzoate
CID 66164081
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 66162308
2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile
CID 107803669
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
CID 66163095
4-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylaniline
CID 66162669
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylaniline
CID 82761082
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfanylaniline
CID 115762792
4-bromo-2,3-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 107788117
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline (CID 66164331) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline is CCSc1ccccc1NCc1cncn1C1CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline?
The InChIKey is OEUKJBMUAKDGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-19-15-6-4-3-5-14(15)17-10-13-9-16-11-18(13)12-7-8-12/h3-6,9,11-12,17H,2,7-8,10H2,1H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline has a molecular weight of 273.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline is sourced from PubChem (CID 66164331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).