ethyl N-amino-N-(thiolan-2-yl)carbamate

C7H14N2O2S — CID 57324412

IUPACethyl N-amino-N-(thiolan-2-yl)carbamate
SMILESCCOC(=O)N(N)C1CCCS1
InChIInChI=1S/C7H14N2O2S/c1-2-11-7(10)9(8)6-4-3-5-12-6/h6H,2-5,8H2,1H3
InChIKeyVCXCNYYKUGECFY-UHFFFAOYSA-N
MW190.27 g/mol
LogP1.17
Rot. Bonds2

About ethyl N-amino-N-(thiolan-2-yl)carbamate

ethyl N-amino-N-(thiolan-2-yl)carbamate (PubChem CID 57324412) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is ethyl N-amino-N-(thiolan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-amino-N-(thiolan-2-yl)carbamate
PubChem CID57324412
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Nameethyl N-amino-N-(thiolan-2-yl)carbamate
SMILESCCOC(=O)N(N)C1CCCS1
InChIInChI=1S/C7H14N2O2S/c1-2-11-7(10)9(8)6-4-3-5-12-6/h6H,2-5,8H2,1H3
InChIKeyVCXCNYYKUGECFY-UHFFFAOYSA-N
XLogP1.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 ethyl N-amino-N-(thiolan-2-yl)carbamate?
The IUPAC name of ethyl N-amino-N-(thiolan-2-yl)carbamate (CID 57324412) is ethyl N-amino-N-(thiolan-2-yl)carbamate.
What is the SMILES notation for ethyl N-amino-N-(thiolan-2-yl)carbamate?
The canonical SMILES for ethyl N-amino-N-(thiolan-2-yl)carbamate is CCOC(=O)N(N)C1CCCS1.
What is the InChIKey of ethyl N-amino-N-(thiolan-2-yl)carbamate?
The InChIKey is VCXCNYYKUGECFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-2-11-7(10)9(8)6-4-3-5-12-6/h6H,2-5,8H2,1H3.
What are the key properties of ethyl N-amino-N-(thiolan-2-yl)carbamate?
ethyl N-amino-N-(thiolan-2-yl)carbamate has a molecular weight of 190.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-amino-N-(thiolan-2-yl)carbamate is sourced from PubChem (CID 57324412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).