1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide

C12H27IN4O3S — CID 111127439

IUPAC1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCOCC1)NC(C)C.I
InChIInChI=1S/C12H26N4O3S.HI/c1-4-13-12(15-11(2)3)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H
InChIKeyBPNVOGSJOMGFAX-UHFFFAOYSA-N
MW434.34 g/mol
LogP0.23
Rot. Bonds6

About 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide

1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111127439) has the molecular formula C12H27IN4O3S and a molecular weight of 434.34 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide
PubChem CID111127439
Molecular FormulaC12H27IN4O3S
Molecular Weight434.34 g/mol
Exact Mass434.08
IUPAC Name1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CCOCC1)NC(C)C.I
InChIInChI=1S/C12H26N4O3S.HI/c1-4-13-12(15-11(2)3)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H
InChIKeyBPNVOGSJOMGFAX-UHFFFAOYSA-N
XLogP0.23
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-3-propan-2-yl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111833112
1-ethyl-3-(4-methylcyclohexyl)-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111256712
2-butyl-1-ethyl-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111152361
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111209329
1-ethyl-3-(5-methylhexan-2-yl)-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine
CID 111833255
1-ethyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126755
3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111187811
1-ethyl-3-prop-2-enyl-2-(2-thiomorpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 136926198
1-ethyl-3-propan-2-yl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 111834702
N-ethyl-N'-(2-morpholin-4-ylsulfonylethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263835
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111001310
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylsulfonylethyl)guanidine;hydroiodide
CID 111360244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide (CID 111127439) is 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide is CCN/C(=N\CCS(=O)(=O)N1CCOCC1)NC(C)C.I.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is BPNVOGSJOMGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S.HI/c1-4-13-12(15-11(2)3)14-5-10-20(17,18)16-6-8-19-9-7-16;/h11H,4-10H2,1-3H3,(H2,13,14,15);1H.
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide?
1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 434.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylsulfonylethyl)-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111127439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).