(Z)-N-sulfanylideneoctadec-9-enamide

C18H33NOS — CID 174916160

IUPAC(Z)-N-sulfanylideneoctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N=S
InChIInChI=1S/C18H33NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKeyMXWJUMQOWCXHRW-KTKRTIGZSA-N
MW311.53 g/mol
LogP6.28
Rot. Bonds15

About (Z)-N-sulfanylideneoctadec-9-enamide

(Z)-N-sulfanylideneoctadec-9-enamide (PubChem CID 174916160) has the molecular formula C18H33NOS and a molecular weight of 311.53 g/mol. Its IUPAC name is (Z)-N-sulfanylideneoctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-sulfanylideneoctadec-9-enamide
PubChem CID174916160
Molecular FormulaC18H33NOS
Molecular Weight311.53 g/mol
Exact Mass311.23
IUPAC Name(Z)-N-sulfanylideneoctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N=S
InChIInChI=1S/C18H33NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKeyMXWJUMQOWCXHRW-KTKRTIGZSA-N
XLogP6.28
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
(E)-triacont-15-ene-8,23-dione
CID 11849500
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-hexadec-8-enoic acid
CID 6430788
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-tricos-15-enamide
CID 155109212
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-heptadec-7-en-2-one
CID 90307080
(E)-icos-11-enamide
CID 5365373

Frequently Asked Questions

What is the IUPAC name of (Z)-N-sulfanylideneoctadec-9-enamide?
The IUPAC name of (Z)-N-sulfanylideneoctadec-9-enamide (CID 174916160) is (Z)-N-sulfanylideneoctadec-9-enamide.
What is the SMILES notation for (Z)-N-sulfanylideneoctadec-9-enamide?
The canonical SMILES for (Z)-N-sulfanylideneoctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N=S.
What is the InChIKey of (Z)-N-sulfanylideneoctadec-9-enamide?
The InChIKey is MXWJUMQOWCXHRW-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H33NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19-21/h9-10H,2-8,11-17H2,1H3/b10-9-.
What are the key properties of (Z)-N-sulfanylideneoctadec-9-enamide?
(Z)-N-sulfanylideneoctadec-9-enamide has a molecular weight of 311.53 g/mol, XLogP of 6.28, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-sulfanylideneoctadec-9-enamide is sourced from PubChem (CID 174916160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).