ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine

C10H20N2S — CID 145188167

IUPACethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
SMILESCC.[H]/N=C(\CC)C1=C(N)CCSC1
InChIInChI=1S/C8H14N2S.C2H6/c1-2-7(9)6-5-11-4-3-8(6)10;1-2/h9H,2-5,10H2,1H3;1-2H3/b9-7+;
InChIKeyPWXLPTKQXFYHHP-BXTVWIJMSA-N
MW200.35 g/mol
LogP2.79
Rot. Bonds2

About ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine

ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine (PubChem CID 145188167) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine.

Molecular Properties

Compound Nameethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
PubChem CID145188167
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Nameethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine
SMILESCC.[H]/N=C(\CC)C1=C(N)CCSC1
InChIInChI=1S/C8H14N2S.C2H6/c1-2-7(9)6-5-11-4-3-8(6)10;1-2/h9H,2-5,10H2,1H3;1-2H3/b9-7+;
InChIKeyPWXLPTKQXFYHHP-BXTVWIJMSA-N
XLogP2.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine?
The IUPAC name of ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine (CID 145188167) is ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine.
What is the SMILES notation for ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine?
The canonical SMILES for ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine is CC.[H]/N=C(\CC)C1=C(N)CCSC1.
What is the InChIKey of ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine?
The InChIKey is PWXLPTKQXFYHHP-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H14N2S.C2H6/c1-2-7(9)6-5-11-4-3-8(6)10;1-2/h9H,2-5,10H2,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine?
ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine has a molecular weight of 200.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propanimidoyl-3,6-dihydro-2H-thiopyran-4-amine is sourced from PubChem (CID 145188167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).