N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

C9H15N3S — CID 63109014

IUPACN-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCSCc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C9H15N3S/c1-13-6-9-11-5-8(12-9)4-10-7-2-3-7/h5,7,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyBLBVARLWBLEXAM-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.52
Rot. Bonds5

About N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 63109014) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID63109014
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESCSCc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C9H15N3S/c1-13-6-9-11-5-8(12-9)4-10-7-2-3-7/h5,7,10H,2-4,6H2,1H3,(H,11,12)
InChIKeyBLBVARLWBLEXAM-UHFFFAOYSA-N
XLogP1.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 63109014) is N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is CSCc1ncc(CNC2CC2)[nH]1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BLBVARLWBLEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-13-6-9-11-5-8(12-9)4-10-7-2-3-7/h5,7,10H,2-4,6H2,1H3,(H,11,12).
What are the key properties of N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 197.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63109014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).