sulfane;N-tetradecan-2-ylprop-2-enamide

C17H35NOS — CID 161423391

IUPACsulfane;N-tetradecan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)CCCCCCCCCCCC.S
InChIInChI=1S/C17H33NO.H2S/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)18-17(19)5-2;/h5,16H,2,4,6-15H2,1,3H3,(H,18,19);1H2
InChIKeyRPJZODYORVVVQY-UHFFFAOYSA-N
MW301.54 g/mol
LogP5.10
Rot. Bonds13

About sulfane;N-tetradecan-2-ylprop-2-enamide

sulfane;N-tetradecan-2-ylprop-2-enamide (PubChem CID 161423391) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is sulfane;N-tetradecan-2-ylprop-2-enamide.

Molecular Properties

Compound Namesulfane;N-tetradecan-2-ylprop-2-enamide
PubChem CID161423391
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Namesulfane;N-tetradecan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)CCCCCCCCCCCC.S
InChIInChI=1S/C17H33NO.H2S/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)18-17(19)5-2;/h5,16H,2,4,6-15H2,1,3H3,(H,18,19);1H2
InChIKeyRPJZODYORVVVQY-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 172681063
CID 172681063
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
N-tridecan-5-ylprop-2-enamide
CID 141277245
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
N-tetradecan-3-ylprop-2-enamide
CID 54185556
trimethyl-[3-(prop-2-enoylamino)pentadecyl]azanium
CID 141026004
N-(3-aminoicosan-2-yl)prop-2-enamide;hydrobromide
CID 175049953
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
2-(prop-2-enoylamino)undecane-1-sulfonic acid
CID 156701088
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of sulfane;N-tetradecan-2-ylprop-2-enamide?
The IUPAC name of sulfane;N-tetradecan-2-ylprop-2-enamide (CID 161423391) is sulfane;N-tetradecan-2-ylprop-2-enamide.
What is the SMILES notation for sulfane;N-tetradecan-2-ylprop-2-enamide?
The canonical SMILES for sulfane;N-tetradecan-2-ylprop-2-enamide is C=CC(=O)NC(C)CCCCCCCCCCCC.S.
What is the InChIKey of sulfane;N-tetradecan-2-ylprop-2-enamide?
The InChIKey is RPJZODYORVVVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO.H2S/c1-4-6-7-8-9-10-11-12-13-14-15-16(3)18-17(19)5-2;/h5,16H,2,4,6-15H2,1,3H3,(H,18,19);1H2.
What are the key properties of sulfane;N-tetradecan-2-ylprop-2-enamide?
sulfane;N-tetradecan-2-ylprop-2-enamide has a molecular weight of 301.54 g/mol, XLogP of 5.10, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;N-tetradecan-2-ylprop-2-enamide is sourced from PubChem (CID 161423391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).