N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide

C8H14N2O2S — CID 62212636

IUPACN-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
SMILESNC(=S)CNC(=O)C1CCCCO1
InChIInChI=1S/C8H14N2O2S/c9-7(13)5-10-8(11)6-3-1-2-4-12-6/h6H,1-5H2,(H2,9,13)(H,10,11)
InChIKeyXSMXXIOXNZMDMQ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.04
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide (PubChem CID 62212636) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
PubChem CID62212636
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
SMILESNC(=S)CNC(=O)C1CCCCO1
InChIInChI=1S/C8H14N2O2S/c9-7(13)5-10-8(11)6-3-1-2-4-12-6/h6H,1-5H2,(H2,9,13)(H,10,11)
InChIKeyXSMXXIOXNZMDMQ-UHFFFAOYSA-N
XLogP-0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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)oxane-2-carboxamide
CID 62667262
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
CID 62301919
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432
N-(1-carbamothioylcyclohexyl)oxane-2-carboxamide
CID 62212995
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide (CID 62212636) is N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide is NC(=S)CNC(=O)C1CCCCO1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide?
The InChIKey is XSMXXIOXNZMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c9-7(13)5-10-8(11)6-3-1-2-4-12-6/h6H,1-5H2,(H2,9,13)(H,10,11).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide has a molecular weight of 202.28 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide is sourced from PubChem (CID 62212636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).