N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine

C8H15N3S — CID 106582182

IUPACN-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
SMILESCCSCC(C)Nc1ncc[nH]1
InChIInChI=1S/C8H15N3S/c1-3-12-6-7(2)11-8-9-4-5-10-8/h4-5,7H,3,6H2,1-2H3,(H2,9,10,11)
InChIKeyKSJGWRMGLYGALU-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.96
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine

N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine (PubChem CID 106582182) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
PubChem CID106582182
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
SMILESCCSCC(C)Nc1ncc[nH]1
InChIInChI=1S/C8H15N3S/c1-3-12-6-7(2)11-8-9-4-5-10-8/h4-5,7H,3,6H2,1-2H3,(H2,9,10,11)
InChIKeyKSJGWRMGLYGALU-UHFFFAOYSA-N
XLogP1.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-amine
CID 106574462
N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
CID 106571848
N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580953
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-methylsulfanyl-1H-imidazol-2-amine
CID 163525236
N-[bis(diethoxyphosphoryl)methyl]-1H-imidazol-2-amine
CID 10948632
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
CID 107783836
1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
CID 106581604

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine (CID 106582182) is N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine is CCSCC(C)Nc1ncc[nH]1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine?
The InChIKey is KSJGWRMGLYGALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-12-6-7(2)11-8-9-4-5-10-8/h4-5,7H,3,6H2,1-2H3,(H2,9,10,11).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine?
N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 106582182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).