1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine

C7H13N3S — CID 64621367

IUPAC1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)CSc1nccn1C
InChIInChI=1S/C7H13N3S/c1-6(8)5-11-7-9-3-4-10(7)2/h3-4,6H,5,8H2,1-2H3
InChIKeyWQAWOOOLZLEJQE-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.86
Rot. Bonds3

About 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine

1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (PubChem CID 64621367) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
PubChem CID64621367
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
SMILESCC(N)CSc1nccn1C
InChIInChI=1S/C7H13N3S/c1-6(8)5-11-7-9-3-4-10(7)2/h3-4,6H,5,8H2,1-2H3
InChIKeyWQAWOOOLZLEJQE-UHFFFAOYSA-N
XLogP0.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 64621169
2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107524443
1-methyl-2-[4-(1-methylimidazol-2-yl)sulfanylbut-2-ynylsulfanyl]imidazole
CID 11837105
(2S)-1-(2-hydroxyethoxy)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
CID 40613083
1-(3,5-dimethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanol
CID 111476226
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
trifluoro-[(1-methylimidazol-2-yl)sulfanylmethyl]boranuide
CID 63702614
3,3,3-trifluoro-2-[(1-methylimidazol-2-yl)sulfanylmethyl]propanimidamide
CID 103371379
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
2-amino-2-methyl-3-(1-methylimidazol-2-yl)sulfanylpropan-1-ol
CID 64819737
1-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 55015176

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine (CID 64621367) is 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is CC(N)CSc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
The InChIKey is WQAWOOOLZLEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(8)5-11-7-9-3-4-10(7)2/h3-4,6H,5,8H2,1-2H3.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine?
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine has a molecular weight of 171.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 64621367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).