(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine

C8H15N3S — CID 92975939

IUPAC(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine
SMILESCc1[nH]cnc1CSC[C@H](C)N
InChIInChI=1S/C8H15N3S/c1-6(9)3-12-4-8-7(2)10-5-11-8/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyOJIRMZZJGOAHPX-LURJTMIESA-N
MW185.30 g/mol
LogP1.30
Rot. Bonds4

About (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine

(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine (PubChem CID 92975939) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine
PubChem CID92975939
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine
SMILESCc1[nH]cnc1CSC[C@H](C)N
InChIInChI=1S/C8H15N3S/c1-6(9)3-12-4-8-7(2)10-5-11-8/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m0/s1
InChIKeyOJIRMZZJGOAHPX-LURJTMIESA-N
XLogP1.30
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine (CID 92975939) is (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine is Cc1[nH]cnc1CSC[C@H](C)N.
What is the InChIKey of (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine?
The InChIKey is OJIRMZZJGOAHPX-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3S/c1-6(9)3-12-4-8-7(2)10-5-11-8/h5-6H,3-4,9H2,1-2H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine?
(2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 92975939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).