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

C6H14N4S — CID 103065588

IUPAC1-amino-2-methyl-3-(thiolan-3-yl)guanidine
SMILESC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C6H14N4S/c1-8-6(10-7)9-5-2-3-11-4-5/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyNKKMKLNAKNEGSQ-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.47
Rot. Bonds1

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

1-amino-2-methyl-3-(thiolan-3-yl)guanidine (PubChem CID 103065588) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(thiolan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(thiolan-3-yl)guanidine
PubChem CID103065588
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name1-amino-2-methyl-3-(thiolan-3-yl)guanidine
SMILESC/N=C(\NN)NC1CCSC1
InChIInChI=1S/C6H14N4S/c1-8-6(10-7)9-5-2-3-11-4-5/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyNKKMKLNAKNEGSQ-UHFFFAOYSA-N
XLogP-0.47
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(thiolan-3-yl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(thiolan-3-yl)guanidine (CID 103065588) is 1-amino-2-methyl-3-(thiolan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(thiolan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(thiolan-3-yl)guanidine is C/N=C(\NN)NC1CCSC1.
What is the InChIKey of 1-amino-2-methyl-3-(thiolan-3-yl)guanidine?
The InChIKey is NKKMKLNAKNEGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c1-8-6(10-7)9-5-2-3-11-4-5/h5H,2-4,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-amino-2-methyl-3-(thiolan-3-yl)guanidine?
1-amino-2-methyl-3-(thiolan-3-yl)guanidine has a molecular weight of 174.27 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(thiolan-3-yl)guanidine is sourced from PubChem (CID 103065588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).