N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide

C11H20N2O2S — CID 62906035

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-2-13(6-3-10(12)16)11(14)9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H2,12,16)
InChIKeyHVUUBLKXQDXDKV-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.94
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide (PubChem CID 62906035) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
PubChem CID62906035
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
SMILESCCN(CCC(N)=S)C(=O)C1CCOCC1
InChIInChI=1S/C11H20N2O2S/c1-2-13(6-3-10(12)16)11(14)9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H2,12,16)
InChIKeyHVUUBLKXQDXDKV-UHFFFAOYSA-N
XLogP0.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-propylcyclopropanecarboxamide
CID 82103692
N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
CID 82104164
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
CID 63014350
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N-(3-amino-3-sulfanylidenepropyl)-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
CID 82103957
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
N-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)cyclopropanecarboxamide
CID 82104263

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide (CID 62906035) is N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide is CCN(CCC(N)=S)C(=O)C1CCOCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide?
The InChIKey is HVUUBLKXQDXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-13(6-3-10(12)16)11(14)9-4-7-15-8-5-9/h9H,2-8H2,1H3,(H2,12,16).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 62906035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).