1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine

C11H19N3S — CID 107131787

IUPAC1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCSC1
InChIInChI=1S/C11H19N3S/c1-10(7-14-4-3-12-9-14)13-6-11-2-5-15-8-11/h3-4,9-11,13H,2,5-8H2,1H3
InChIKeyBQSAMQXMTGWROA-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.61
Rot. Bonds5

About 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine

1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine (PubChem CID 107131787) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
PubChem CID107131787
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
SMILESCC(Cn1ccnc1)NCC1CCSC1
InChIInChI=1S/C11H19N3S/c1-10(7-14-4-3-12-9-14)13-6-11-2-5-15-8-11/h3-4,9-11,13H,2,5-8H2,1H3
InChIKeyBQSAMQXMTGWROA-UHFFFAOYSA-N
XLogP1.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
1-imidazol-1-yl-N-(oxolan-2-ylmethyl)propan-2-amine
CID 61482334
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 43791956
(2S)-1-methylsulfanyl-N-[[(3S)-thiolan-3-yl]methyl]propan-2-amine
CID 124674576
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
[1-(1-imidazol-1-ylpropan-2-yl)pyrrolidin-3-yl]methanamine
CID 61482680

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine (CID 107131787) is 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine is CC(Cn1ccnc1)NCC1CCSC1.
What is the InChIKey of 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine?
The InChIKey is BQSAMQXMTGWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10(7-14-4-3-12-9-14)13-6-11-2-5-15-8-11/h3-4,9-11,13H,2,5-8H2,1H3.
What are the key properties of 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine?
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 107131787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).