2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine

C7H15N3S — CID 21735

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSC1=NCCN1
InChIInChI=1S/C7H15N3S/c1-10(2)5-6-11-7-8-3-4-9-7/h3-6H2,1-2H3,(H,8,9)
InChIKeyRIHWDXYOYAYZBU-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.24
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine (PubChem CID 21735) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
PubChem CID21735
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSC1=NCCN1
InChIInChI=1S/C7H15N3S/c1-10(2)5-6-11-7-8-3-4-9-7/h3-6H2,1-2H3,(H,8,9)
InChIKeyRIHWDXYOYAYZBU-UHFFFAOYSA-N
XLogP0.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine (CID 21735) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine is CN(C)CCSC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is RIHWDXYOYAYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-10(2)5-6-11-7-8-3-4-9-7/h3-6H2,1-2H3,(H,8,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 173.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 21735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).