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

C10H20IN3O2S — CID 120971702

IUPACN-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCS(=O)(=O)CC2CC2)N1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-8-6-12-10(13-8)11-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7H2,1H3,(H2,11,12,13);1H
InChIKeyBBTFQYQLCJRREX-UHFFFAOYSA-N
MW373.26 g/mol
LogP0.37
Rot. Bonds5

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

N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120971702) has the molecular formula C10H20IN3O2S and a molecular weight of 373.26 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120971702
Molecular FormulaC10H20IN3O2S
Molecular Weight373.26 g/mol
Exact Mass373.03
IUPAC NameN-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCC1CN=C(NCCS(=O)(=O)CC2CC2)N1.I
InChIInChI=1S/C10H19N3O2S.HI/c1-8-6-12-10(13-8)11-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7H2,1H3,(H2,11,12,13);1H
InChIKeyBBTFQYQLCJRREX-UHFFFAOYSA-N
XLogP0.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120971702) is N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CC1CN=C(NCCS(=O)(=O)CC2CC2)N1.I.
What is the InChIKey of N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is BBTFQYQLCJRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.HI/c1-8-6-12-10(13-8)11-4-5-16(14,15)7-9-2-3-9;/h8-9H,2-7H2,1H3,(H2,11,12,13);1H.
What are the key properties of N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 373.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).