1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol

C10H17N3OS — CID 43166312

IUPAC1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCn1ccnc1SCC(O)CNC1CC1
InChIInChI=1S/C10H17N3OS/c1-13-5-4-11-10(13)15-7-9(14)6-12-8-2-3-8/h4-5,8-9,12,14H,2-3,6-7H2,1H3
InChIKeyJFZROZLNIPFWRK-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.63
Rot. Bonds6

About 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol

1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (PubChem CID 43166312) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
PubChem CID43166312
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
SMILESCn1ccnc1SCC(O)CNC1CC1
InChIInChI=1S/C10H17N3OS/c1-13-5-4-11-10(13)15-7-9(14)6-12-8-2-3-8/h4-5,8-9,12,14H,2-3,6-7H2,1H3
InChIKeyJFZROZLNIPFWRK-UHFFFAOYSA-N
XLogP0.63
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol
CID 19030942
1-Butylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423780
1-Hexylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423811
1-Imidazol-1-yl-3-methylsulfanylpropan-2-ol
CID 21423817
1-Imidazol-1-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 21423832
1-Imidazol-1-yl-3-propylsulfanylpropan-2-ol
CID 21423839
1-Ethylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423856
1-Tert-butylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423950
1-Heptylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423981
3-(1-Butylimidazol-2-yl)sulfanylpropan-1-ol
CID 54140127
1-(1-Methylimidazol-2-yl)sulfanylbutan-2-ol
CID 58858102
1-Imidazol-1-yl-3-pentylsulfanylpropan-2-ol
CID 68132017

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol (CID 43166312) is 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is Cn1ccnc1SCC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
The InChIKey is JFZROZLNIPFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-13-5-4-11-10(13)15-7-9(14)6-12-8-2-3-8/h4-5,8-9,12,14H,2-3,6-7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol?
1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol has a molecular weight of 227.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 43166312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).