1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine

C7H14N4O2S — CID 130820208

IUPAC1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
SMILESNN/C(=N\C1CC1)NC1CS(=O)(=O)C1
InChIInChI=1S/C7H14N4O2S/c8-11-7(9-5-1-2-5)10-6-3-14(12,13)4-6/h5-6H,1-4,8H2,(H2,9,10,11)
InChIKeyFEKBNZYUANZQKM-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.65
Rot. Bonds2

About 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine

1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine (PubChem CID 130820208) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
PubChem CID130820208
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine
SMILESNN/C(=N\C1CC1)NC1CS(=O)(=O)C1
InChIInChI=1S/C7H14N4O2S/c8-11-7(9-5-1-2-5)10-6-3-14(12,13)4-6/h5-6H,1-4,8H2,(H2,9,10,11)
InChIKeyFEKBNZYUANZQKM-UHFFFAOYSA-N
XLogP-1.65
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.65
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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Related Compounds

1-amino-3-cyclopropyl-2-(4-methylcyclohexyl)guanidine
CID 104883140
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1-amino-2-cyclopropyl-3-(3-methyl-1,1-dioxothiolan-3-yl)guanidine
CID 104884953
1-amino-3-cyclopentyl-2-(thian-4-yl)guanidine
CID 104888913
1-amino-2-cyclopropyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)guanidine
CID 104886579
1-amino-2-cyclopentyl-3-(1-methylpiperidin-3-yl)guanidine
CID 104884363
1-amino-3-(1,1-dioxothian-4-yl)-2-methylguanidine
CID 104882020
1-amino-2-cyclopentyl-3-(thian-3-yl)guanidine
CID 104889048
1-amino-2-cyclopropyl-3-(dimethylamino)guanidine
CID 104887916
1-amino-2-cyclohexyl-3-(3,3,5,5-tetramethylcyclohexyl)guanidine
CID 104888437
1-amino-2-(1,1-dioxothian-4-yl)-3-phenylguanidine
CID 116513399
2-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]-2-methylpropanamide
CID 104885512

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine (CID 130820208) is 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine is NN/C(=N\C1CC1)NC1CS(=O)(=O)C1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine?
The InChIKey is FEKBNZYUANZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c8-11-7(9-5-1-2-5)10-6-3-14(12,13)4-6/h5-6H,1-4,8H2,(H2,9,10,11).
What are the key properties of 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine?
1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine has a molecular weight of 218.28 g/mol, XLogP of -1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(1,1-dioxothietan-3-yl)guanidine is sourced from PubChem (CID 130820208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).