[amino(dimethylidene)-λ6-sulfanyl]cyclopropane

C5H11NS — CID 58683481

IUPAC[amino(dimethylidene)-λ6-sulfanyl]cyclopropane
SMILESC=S(=C)(N)C1CC1
InChIInChI=1S/C5H11NS/c1-7(2,6)5-3-4-5/h5H,1-4,6H2
InChIKeyRYHYKBTXHGWLCX-UHFFFAOYSA-N
MW117.22 g/mol
LogP0.69
Rot. Bonds1

About [amino(dimethylidene)-λ6-sulfanyl]cyclopropane

[amino(dimethylidene)-λ6-sulfanyl]cyclopropane (PubChem CID 58683481) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is [amino(dimethylidene)-λ6-sulfanyl]cyclopropane.

Molecular Properties

Compound Name[amino(dimethylidene)-λ6-sulfanyl]cyclopropane
PubChem CID58683481
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name[amino(dimethylidene)-λ6-sulfanyl]cyclopropane
SMILESC=S(=C)(N)C1CC1
InChIInChI=1S/C5H11NS/c1-7(2,6)5-3-4-5/h5H,1-4,6H2
InChIKeyRYHYKBTXHGWLCX-UHFFFAOYSA-N
XLogP0.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(dimethylidene)-λ6-sulfanyl]cyclopropane?
The IUPAC name of [amino(dimethylidene)-λ6-sulfanyl]cyclopropane (CID 58683481) is [amino(dimethylidene)-λ6-sulfanyl]cyclopropane.
What is the SMILES notation for [amino(dimethylidene)-λ6-sulfanyl]cyclopropane?
The canonical SMILES for [amino(dimethylidene)-λ6-sulfanyl]cyclopropane is C=S(=C)(N)C1CC1.
What is the InChIKey of [amino(dimethylidene)-λ6-sulfanyl]cyclopropane?
The InChIKey is RYHYKBTXHGWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-7(2,6)5-3-4-5/h5H,1-4,6H2.
What are the key properties of [amino(dimethylidene)-λ6-sulfanyl]cyclopropane?
[amino(dimethylidene)-λ6-sulfanyl]cyclopropane has a molecular weight of 117.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(dimethylidene)-λ6-sulfanyl]cyclopropane is sourced from PubChem (CID 58683481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).