2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine

C6H13N3OS — CID 62482686

IUPAC2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/O)C1CCSC1
InChIInChI=1S/C6H13N3OS/c1-9(6(7)8-10)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyBIGUUQCYDMCMSN-UHFFFAOYSA-N
MW175.26 g/mol
LogP0.13
Rot. Bonds1

About 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine

2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine (PubChem CID 62482686) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine
PubChem CID62482686
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Name2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine
SMILESCN(/C(N)=N/O)C1CCSC1
InChIInChI=1S/C6H13N3OS/c1-9(6(7)8-10)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H2,7,8)
InChIKeyBIGUUQCYDMCMSN-UHFFFAOYSA-N
XLogP0.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 50.13
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 80596761
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]propanimidamide
CID 76915090
3-amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
CID 104881985
2-[ethyl(thiolan-3-yl)amino]-N'-hydroxyethanimidamide
CID 121203714
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 104883663
2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
CID 60867525
6-amino-N-methyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
CID 62154089
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine (CID 62482686) is 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine is CN(/C(N)=N/O)C1CCSC1.
What is the InChIKey of 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine?
The InChIKey is BIGUUQCYDMCMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-9(6(7)8-10)5-2-3-11-4-5/h5,10H,2-4H2,1H3,(H2,7,8).
What are the key properties of 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine?
2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine has a molecular weight of 175.26 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 62482686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).