ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine

C8H17NS — CID 144806437

IUPACethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine
SMILESC/C=C\SN=C(C)C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-5-8-7-6(2)3;1-2/h4-5H,1-3H3;1-2H3/b5-4-;
InChIKeyDWSIFEQNPWRDNQ-MKWAYWHRSA-N
MW159.30 g/mol
LogP3.68
Rot. Bonds2

About ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine

ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine (PubChem CID 144806437) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine
PubChem CID144806437
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine
SMILESC/C=C\SN=C(C)C.CC
InChIInChI=1S/C6H11NS.C2H6/c1-4-5-8-7-6(2)3;1-2/h4-5H,1-3H3;1-2H3/b5-4-;
InChIKeyDWSIFEQNPWRDNQ-MKWAYWHRSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine (CID 144806437) is ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine is C/C=C\SN=C(C)C.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine?
The InChIKey is DWSIFEQNPWRDNQ-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-5-8-7-6(2)3;1-2/h4-5H,1-3H3;1-2H3/b5-4-;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine?
ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine has a molecular weight of 159.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]sulfanylpropan-2-imine is sourced from PubChem (CID 144806437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).