N-sulfanylideneoctanamide

C8H15NOS — CID 58219363

IUPACN-sulfanylideneoctanamide
SMILESCCCCCCCC(=O)N=S
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-6-7-8(10)9-11/h2-7H2,1H3
InChIKeyVAVWNILFWTXTQF-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.60
Rot. Bonds6

About N-sulfanylideneoctanamide

N-sulfanylideneoctanamide (PubChem CID 58219363) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is N-sulfanylideneoctanamide.

Molecular Properties

Compound NameN-sulfanylideneoctanamide
PubChem CID58219363
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameN-sulfanylideneoctanamide
SMILESCCCCCCCC(=O)N=S
InChIInChI=1S/C8H15NOS/c1-2-3-4-5-6-7-8(10)9-11/h2-7H2,1H3
InChIKeyVAVWNILFWTXTQF-UHFFFAOYSA-N
XLogP2.60
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-sulfanylideneoctadec-9-enamide
CID 174916160
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
N-methylidenehexacosanamide
CID 89187174
N-methylidenedocosanamide
CID 175417802
nonanoyl isothiocyanate
CID 19774855
N-propylideneundecanamide
CID 90933467
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-16,17-dione
CID 175447711
nonadecan-7-one
CID 12913434
pentacosane-7,19-dione
CID 139254510

Frequently Asked Questions

What is the IUPAC name of N-sulfanylideneoctanamide?
The IUPAC name of N-sulfanylideneoctanamide (CID 58219363) is N-sulfanylideneoctanamide.
What is the SMILES notation for N-sulfanylideneoctanamide?
The canonical SMILES for N-sulfanylideneoctanamide is CCCCCCCC(=O)N=S.
What is the InChIKey of N-sulfanylideneoctanamide?
The InChIKey is VAVWNILFWTXTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-3-4-5-6-7-8(10)9-11/h2-7H2,1H3.
What are the key properties of N-sulfanylideneoctanamide?
N-sulfanylideneoctanamide has a molecular weight of 173.28 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylideneoctanamide is sourced from PubChem (CID 58219363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).