2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine

C9H16N4S — CID 52501435

IUPAC2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
SMILESCN(C)[C@H](CN=C(N)N)c1cccs1
InChIInChI=1S/C9H16N4S/c1-13(2)7(6-12-9(10)11)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H4,10,11,12)/t7-/m1/s1
InChIKeyIZVSNQDLWDYBBF-SSDOTTSWSA-N
MW212.32 g/mol
LogP0.62
Rot. Bonds4

About 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine

2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine (PubChem CID 52501435) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine.

Molecular Properties

Compound Name2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
PubChem CID52501435
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
SMILESCN(C)[C@H](CN=C(N)N)c1cccs1
InChIInChI=1S/C9H16N4S/c1-13(2)7(6-12-9(10)11)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H4,10,11,12)/t7-/m1/s1
InChIKeyIZVSNQDLWDYBBF-SSDOTTSWSA-N
XLogP0.62
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136924041
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981907
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 111028222
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981906
tert-butyl 4-[N'-[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111028205
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine
CID 62364330
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine?
The IUPAC name of 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine (CID 52501435) is 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine.
What is the SMILES notation for 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine?
The canonical SMILES for 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine is CN(C)[C@H](CN=C(N)N)c1cccs1.
What is the InChIKey of 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine?
The InChIKey is IZVSNQDLWDYBBF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13(2)7(6-12-9(10)11)8-4-3-5-14-8/h3-5,7H,6H2,1-2H3,(H4,10,11,12)/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine?
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine has a molecular weight of 212.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine is sourced from PubChem (CID 52501435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).