1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C13H20IN3S — CID 120666065

IUPAC1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cccs1)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H19N3S.HI/c14-13(15-6-5-10-2-1-7-17-10)16-12-8-11(12)9-3-4-9;/h1-2,7,9,11-12H,3-6,8H2,(H3,14,15,16);1H/t11-,12+;/m0./s1
InChIKeyQOFHTGJWNVHWLA-ZVWHLABXSA-N
MW377.30 g/mol
LogP2.61
Rot. Bonds5

About 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 120666065) has the molecular formula C13H20IN3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID120666065
Molecular FormulaC13H20IN3S
Molecular Weight377.30 g/mol
Exact Mass377.04
IUPAC Name1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1cccs1)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H19N3S.HI/c14-13(15-6-5-10-2-1-7-17-10)16-12-8-11(12)9-3-4-9;/h1-2,7,9,11-12H,3-6,8H2,(H3,14,15,16);1H/t11-,12+;/m0./s1
InChIKeyQOFHTGJWNVHWLA-ZVWHLABXSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120666001
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 120606094
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 120671462
1-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(2-thiophen-2-ylethyl)guanidine
CID 119164356
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
methyl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111063902
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377
propan-2-yl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037107
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876
1-(2-methoxyphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030682
1-(3-ethylphenyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 111030708
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 120666065) is 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCc1cccs1)N[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is QOFHTGJWNVHWLA-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H19N3S.HI/c14-13(15-6-5-10-2-1-7-17-10)16-12-8-11(12)9-3-4-9;/h1-2,7,9,11-12H,3-6,8H2,(H3,14,15,16);1H/t11-,12+;/m0./s1.
What are the key properties of 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 377.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-cyclopropylcyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 120666065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).