[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium

C11H16N3S+ — CID 7008937

IUPAC[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
SMILESCSCC[C@@H]([NH3+])c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)/p+1/t8-/m1/s1
InChIKeyWWNOVKZOKFLYAF-MRVPVSSYSA-O
MW222.34 g/mol
LogP1.60
Rot. Bonds4

About [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium

[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium (PubChem CID 7008937) has the molecular formula C11H16N3S+ and a molecular weight of 222.34 g/mol. Its IUPAC name is [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
PubChem CID7008937
Molecular FormulaC11H16N3S+
Molecular Weight222.34 g/mol
Exact Mass222.11
IUPAC Name[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
SMILESCSCC[C@@H]([NH3+])c1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)/p+1/t8-/m1/s1
InChIKeyWWNOVKZOKFLYAF-MRVPVSSYSA-O
XLogP1.60
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008936
1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
2-propan-2-yl-1H-benzimidazole
CID 22121
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 4878970
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylbutanamide
CID 51425732

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium?
The IUPAC name of [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium (CID 7008937) is [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium.
What is the SMILES notation for [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium?
The canonical SMILES for [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium is CSCC[C@@H]([NH3+])c1nc2ccccc2[nH]1.
What is the InChIKey of [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium?
The InChIKey is WWNOVKZOKFLYAF-MRVPVSSYSA-O. The full InChI is InChI=1S/C11H15N3S/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium?
[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium has a molecular weight of 222.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium is sourced from PubChem (CID 7008937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).