3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine

C9H20N4S — CID 104883661

IUPAC3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine
SMILESCCC/N=C(\NN)N(C)C1CCSC1
InChIInChI=1S/C9H20N4S/c1-3-5-11-9(12-10)13(2)8-4-6-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyHOYMFKUMPGRUMS-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.65
Rot. Bonds3

About 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine

3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine (PubChem CID 104883661) has the molecular formula C9H20N4S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine
PubChem CID104883661
Molecular FormulaC9H20N4S
Molecular Weight216.35 g/mol
Exact Mass216.14
IUPAC Name3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine
SMILESCCC/N=C(\NN)N(C)C1CCSC1
InChIInChI=1S/C9H20N4S/c1-3-5-11-9(12-10)13(2)8-4-6-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyHOYMFKUMPGRUMS-UHFFFAOYSA-N
XLogP0.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-Ethyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62361657
1-Methyl-2-propyl-1-(thiolan-3-yl)guanidine
CID 62361658
1-Methyl-2-propan-2-yl-1-(thiolan-3-yl)guanidine
CID 62361659
1-Amino-2-(2-methylpropyl)-3-(thiolan-3-yl)guanidine
CID 103065584
1-Amino-2-ethyl-3-(thiolan-3-yl)guanidine
CID 103065586
1-Amino-2-methyl-3-(thiolan-3-yl)guanidine
CID 103065588
1-Amino-2-propyl-3-(thiolan-3-yl)guanidine
CID 103065589
1-Amino-2-cyclopropyl-3-(thiolan-3-yl)guanidine
CID 103065592
1-Amino-2-butyl-3-(thiolan-3-yl)guanidine
CID 103065594
1-Amino-3-propan-2-yl-2-(thiolan-3-yl)guanidine
CID 103065597
3-Amino-1,2-dimethyl-1-(thiolan-3-yl)guanidine
CID 104881985
3-Amino-1-(1,1-dioxothiolan-3-yl)-1,2-dimethylguanidine
CID 104882027

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine?
The IUPAC name of 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine (CID 104883661) is 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine.
What is the SMILES notation for 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine?
The canonical SMILES for 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine is CCC/N=C(\NN)N(C)C1CCSC1.
What is the InChIKey of 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine?
The InChIKey is HOYMFKUMPGRUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4S/c1-3-5-11-9(12-10)13(2)8-4-6-14-7-8/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine?
3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine has a molecular weight of 216.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-2-propyl-1-(thiolan-3-yl)guanidine is sourced from PubChem (CID 104883661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).