1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine

C9H20N4OS — CID 103065595

IUPAC1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCSC1)NN
InChIInChI=1S/C9H20N4OS/c1-7(5-14-2)11-9(13-10)12-8-3-4-15-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyGDOAEYUOTFTLPI-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.06
Rot. Bonds4

About 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine

1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine (PubChem CID 103065595) has the molecular formula C9H20N4OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine
PubChem CID103065595
Molecular FormulaC9H20N4OS
Molecular Weight232.35 g/mol
Exact Mass232.14
IUPAC Name1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine
SMILESCOCC(C)N/C(=N/C1CCSC1)NN
InChIInChI=1S/C9H20N4OS/c1-7(5-14-2)11-9(13-10)12-8-3-4-15-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeyGDOAEYUOTFTLPI-UHFFFAOYSA-N
XLogP-0.06
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine?
The IUPAC name of 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine (CID 103065595) is 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine is COCC(C)N/C(=N/C1CCSC1)NN.
What is the InChIKey of 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine?
The InChIKey is GDOAEYUOTFTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4OS/c1-7(5-14-2)11-9(13-10)12-8-3-4-15-6-8/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine?
1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine has a molecular weight of 232.35 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103065595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).