N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide

C10H18N2O2S — CID 63014350

IUPACN-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
SMILESCCN(CC(N)=S)C(=O)C1CCCOC1
InChIInChI=1S/C10H18N2O2S/c1-2-12(6-9(11)15)10(13)8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H2,11,15)
InChIKeyHWPPHNFAGRJLRP-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.55
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide

N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide (PubChem CID 63014350) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
PubChem CID63014350
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide
SMILESCCN(CC(N)=S)C(=O)C1CCCOC1
InChIInChI=1S/C10H18N2O2S/c1-2-12(6-9(11)15)10(13)8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H2,11,15)
InChIKeyHWPPHNFAGRJLRP-UHFFFAOYSA-N
XLogP0.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.55
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-(2-chloroethyl)-N-ethyloxane-3-carboxamide
CID 63395312
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N-(2-cyanopropyl)-N-ethyloxane-3-carboxamide
CID 63014346
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
oxane-3-carboxamide
CID 22714381
(3R)-oxane-3-carbothioamide
CID 96581763
2-[methyl(oxan-3-yl)amino]ethanethioamide
CID 107134690
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
CID 62758627
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N,N-diethyloxane-3-carboximidamide
CID 65333838

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide (CID 63014350) is N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide is CCN(CC(N)=S)C(=O)C1CCCOC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide?
The InChIKey is HWPPHNFAGRJLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-12(6-9(11)15)10(13)8-4-3-5-14-7-8/h8H,2-7H2,1H3,(H2,11,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N-ethyloxane-3-carboxamide is sourced from PubChem (CID 63014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).