1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine

C9H17N3S — CID 107783836

IUPAC1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ncc[nH]1
InChIInChI=1S/C9H17N3S/c1-3-4-10-8(2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyNXWJTTVMIZWJOF-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.89
Rot. Bonds6

About 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine

1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine (PubChem CID 107783836) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
PubChem CID107783836
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1ncc[nH]1
InChIInChI=1S/C9H17N3S/c1-3-4-10-8(2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyNXWJTTVMIZWJOF-UHFFFAOYSA-N
XLogP1.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine 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

N-[2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 107783749
3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107781988
methyl 3-(1H-imidazol-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107781960
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-5-methylhexan-2-amine
CID 107782493
N-ethyl-2-(1H-imidazol-2-ylsulfanyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 107783914
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-ethyl-5-(1H-imidazol-2-ylsulfanyl)pentan-2-amine
CID 107784010
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074
methyl 2-amino-3-(1H-imidazol-2-ylsulfanyl)propanoate
CID 107781808
6-(1H-imidazol-2-ylsulfanyl)-N-methylhexan-2-amine
CID 107783913
N-ethyl-3-(1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 107781363

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine (CID 107783836) is 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine is CCCNC(C)CSc1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine?
The InChIKey is NXWJTTVMIZWJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-4-10-8(2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine?
1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylsulfanyl)-N-propylpropan-2-amine is sourced from PubChem (CID 107783836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).