N-cyclopentyl-2-ethylnon-7-enethioamide

C16H29NS — CID 90266144

IUPACN-cyclopentyl-2-ethylnon-7-enethioamide
SMILESCC=CCCCCC(CC)C(=S)NC1CCCC1
InChIInChI=1S/C16H29NS/c1-3-5-6-7-8-11-14(4-2)16(18)17-15-12-9-10-13-15/h3,5,14-15H,4,6-13H2,1-2H3,(H,17,18)
InChIKeyFULGTGUYHNULHV-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.01
Rot. Bonds8

About N-cyclopentyl-2-ethylnon-7-enethioamide

N-cyclopentyl-2-ethylnon-7-enethioamide (PubChem CID 90266144) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is N-cyclopentyl-2-ethylnon-7-enethioamide.

Molecular Properties

Compound NameN-cyclopentyl-2-ethylnon-7-enethioamide
PubChem CID90266144
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC NameN-cyclopentyl-2-ethylnon-7-enethioamide
SMILESCC=CCCCCC(CC)C(=S)NC1CCCC1
InChIInChI=1S/C16H29NS/c1-3-5-6-7-8-11-14(4-2)16(18)17-15-12-9-10-13-15/h3,5,14-15H,4,6-13H2,1-2H3,(H,17,18)
InChIKeyFULGTGUYHNULHV-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-ethylnon-7-enethioamide?
The IUPAC name of N-cyclopentyl-2-ethylnon-7-enethioamide (CID 90266144) is N-cyclopentyl-2-ethylnon-7-enethioamide.
What is the SMILES notation for N-cyclopentyl-2-ethylnon-7-enethioamide?
The canonical SMILES for N-cyclopentyl-2-ethylnon-7-enethioamide is CC=CCCCCC(CC)C(=S)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-ethylnon-7-enethioamide?
The InChIKey is FULGTGUYHNULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-3-5-6-7-8-11-14(4-2)16(18)17-15-12-9-10-13-15/h3,5,14-15H,4,6-13H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-ethylnon-7-enethioamide?
N-cyclopentyl-2-ethylnon-7-enethioamide has a molecular weight of 267.48 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-ethylnon-7-enethioamide is sourced from PubChem (CID 90266144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).