N-[(Z)-pent-1-enyl]sulfanylmethanimine

C6H11NS — CID 166866107

IUPACN-[(Z)-pent-1-enyl]sulfanylmethanimine
SMILESC=NS/C=C\CCC
InChIInChI=1S/C6H11NS/c1-3-4-5-6-8-7-2/h5-6H,2-4H2,1H3/b6-5-
InChIKeyLWYLHKXNKVCUES-WAYWQWQTSA-N
MW129.23 g/mol
LogP2.65
Rot. Bonds4

About N-[(Z)-pent-1-enyl]sulfanylmethanimine

N-[(Z)-pent-1-enyl]sulfanylmethanimine (PubChem CID 166866107) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is N-[(Z)-pent-1-enyl]sulfanylmethanimine.

Molecular Properties

Compound NameN-[(Z)-pent-1-enyl]sulfanylmethanimine
PubChem CID166866107
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC NameN-[(Z)-pent-1-enyl]sulfanylmethanimine
SMILESC=NS/C=C\CCC
InChIInChI=1S/C6H11NS/c1-3-4-5-6-8-7-2/h5-6H,2-4H2,1H3/b6-5-
InChIKeyLWYLHKXNKVCUES-WAYWQWQTSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.65
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 N-[(Z)-pent-1-enyl]sulfanylmethanimine?
The IUPAC name of N-[(Z)-pent-1-enyl]sulfanylmethanimine (CID 166866107) is N-[(Z)-pent-1-enyl]sulfanylmethanimine.
What is the SMILES notation for N-[(Z)-pent-1-enyl]sulfanylmethanimine?
The canonical SMILES for N-[(Z)-pent-1-enyl]sulfanylmethanimine is C=NS/C=C\CCC.
What is the InChIKey of N-[(Z)-pent-1-enyl]sulfanylmethanimine?
The InChIKey is LWYLHKXNKVCUES-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-4-5-6-8-7-2/h5-6H,2-4H2,1H3/b6-5-.
What are the key properties of N-[(Z)-pent-1-enyl]sulfanylmethanimine?
N-[(Z)-pent-1-enyl]sulfanylmethanimine has a molecular weight of 129.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-1-enyl]sulfanylmethanimine is sourced from PubChem (CID 166866107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).