2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine

C8H15N3S — CID 82125386

IUPAC2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine
SMILESCC(C)n1ccnc1SCCN
InChIInChI=1S/C8H15N3S/c1-7(2)11-5-4-10-8(11)12-6-3-9/h4-5,7H,3,6,9H2,1-2H3
InChIKeyPUIBUEVALFXNBL-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine

2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine (PubChem CID 82125386) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine
PubChem CID82125386
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine
SMILESCC(C)n1ccnc1SCCN
InChIInChI=1S/C8H15N3S/c1-7(2)11-5-4-10-8(11)12-6-3-9/h4-5,7H,3,6,9H2,1-2H3
InChIKeyPUIBUEVALFXNBL-UHFFFAOYSA-N
XLogP1.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-phenylethyl)imidazol-2-yl]sulfanylethanamine
CID 19861385
2-ethylsulfanyl-1-propan-2-ylimidazole
CID 117189974
2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
CID 94686227
2-(1-butan-2-ylimidazol-2-yl)sulfanylacetic acid
CID 43148507
2-[1-(1-ethoxy-1-oxopropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54960692
4,6-dimethyl-2-[(1-propan-2-ylimidazol-2-yl)methylsulfanyl]pyrimidine
CID 118300413
3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 83178717
2-(2-chloroethylsulfanyl)-1-ethylimidazole
CID 62136783
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]sulfanylethanamine
CID 94700120
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
CID 94691066
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine?
The IUPAC name of 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine (CID 82125386) is 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine is CC(C)n1ccnc1SCCN.
What is the InChIKey of 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine?
The InChIKey is PUIBUEVALFXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7(2)11-5-4-10-8(11)12-6-3-9/h4-5,7H,3,6,9H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine?
2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine has a molecular weight of 185.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylimidazol-2-yl)sulfanylethanamine is sourced from PubChem (CID 82125386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).