5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C10H20IN3O2S — CID 120970958

IUPAC5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCC2(CS(C)(=O)=O)CC2)N1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-8-5-11-9(13-8)12-6-10(3-4-10)7-16(2,14)15;/h8H,3-7H2,1-2H3,(H2,11,12,13);1H
InChIKeyBYBSJEPBWWJNTN-UHFFFAOYSA-N
MW373.26 g/mol
LogP0.37
Rot. Bonds4

About 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120970958) has the molecular formula C10H20IN3O2S and a molecular weight of 373.26 g/mol. Its IUPAC name is 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120970958
Molecular FormulaC10H20IN3O2S
Molecular Weight373.26 g/mol
Exact Mass373.03
IUPAC Name5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCC2(CS(C)(=O)=O)CC2)N1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-8-5-11-9(13-8)12-6-10(3-4-10)7-16(2,14)15;/h8H,3-7H2,1-2H3,(H2,11,12,13);1H
InChIKeyBYBSJEPBWWJNTN-UHFFFAOYSA-N
XLogP0.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120970958) is 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCC2(CS(C)(=O)=O)CC2)N1.I.
What is the InChIKey of 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is BYBSJEPBWWJNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.HI/c1-8-5-11-9(13-8)12-6-10(3-4-10)7-16(2,14)15;/h8H,3-7H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 373.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).