N-pentadecan-8-ylethenesulfinamide

C17H35NOS — CID 134309049

IUPACN-pentadecan-8-ylethenesulfinamide
SMILESC=CS(=O)NC(CCCCCCC)CCCCCCC
InChIInChI=1S/C17H35NOS/c1-4-7-9-11-13-15-17(18-20(19)6-3)16-14-12-10-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3
InChIKeyMCVYWGTXZOHLLN-UHFFFAOYSA-N
MW301.54 g/mol
LogP5.47
Rot. Bonds15

About N-pentadecan-8-ylethenesulfinamide

N-pentadecan-8-ylethenesulfinamide (PubChem CID 134309049) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is N-pentadecan-8-ylethenesulfinamide.

Molecular Properties

Compound NameN-pentadecan-8-ylethenesulfinamide
PubChem CID134309049
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC NameN-pentadecan-8-ylethenesulfinamide
SMILESC=CS(=O)NC(CCCCCCC)CCCCCCC
InChIInChI=1S/C17H35NOS/c1-4-7-9-11-13-15-17(18-20(19)6-3)16-14-12-10-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3
InChIKeyMCVYWGTXZOHLLN-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tridecan-5-ylprop-2-enamide
CID 141277245
N-tetradecan-3-ylprop-2-enamide
CID 54185556
N-prop-2-enylundecan-6-amine
CID 43755395
N-ethenylnonan-4-amine
CID 154960138
tridec-1-en-4-ylhydrazine
CID 105269672
N-methylpentadec-1-en-8-amine
CID 107011425
3-chloronon-1-ene
CID 3021823
N-ethyltridec-1-en-5-amine
CID 104987742
N-propylundec-1-en-5-amine
CID 104987530
N-ethyltetradecan-7-amine
CID 87847195
10-ethenylnonadecane
CID 57244946
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of N-pentadecan-8-ylethenesulfinamide?
The IUPAC name of N-pentadecan-8-ylethenesulfinamide (CID 134309049) is N-pentadecan-8-ylethenesulfinamide.
What is the SMILES notation for N-pentadecan-8-ylethenesulfinamide?
The canonical SMILES for N-pentadecan-8-ylethenesulfinamide is C=CS(=O)NC(CCCCCCC)CCCCCCC.
What is the InChIKey of N-pentadecan-8-ylethenesulfinamide?
The InChIKey is MCVYWGTXZOHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-4-7-9-11-13-15-17(18-20(19)6-3)16-14-12-10-8-5-2/h6,17-18H,3-5,7-16H2,1-2H3.
What are the key properties of N-pentadecan-8-ylethenesulfinamide?
N-pentadecan-8-ylethenesulfinamide has a molecular weight of 301.54 g/mol, XLogP of 5.47, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecan-8-ylethenesulfinamide is sourced from PubChem (CID 134309049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).