N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide

C16H32N2O3S — CID 25023567

IUPACN-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCCCCCCCC(=O)NCCC1
InChIInChI=1S/C16H32N2O3S/c1-22(20,21)18-15-11-8-6-4-2-3-5-7-9-13-16(19)17-14-10-12-15/h15,18H,2-14H2,1H3,(H,17,19)
InChIKeyMZUBTJHQFRHDGR-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.72
Rot. Bonds2

About N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide

N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide (PubChem CID 25023567) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide
PubChem CID25023567
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC NameN-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCCCCCCCCC(=O)NCCC1
InChIInChI=1S/C16H32N2O3S/c1-22(20,21)18-15-11-8-6-4-2-3-5-7-9-13-16(19)17-14-10-12-15/h15,18H,2-14H2,1H3,(H,17,19)
InChIKeyMZUBTJHQFRHDGR-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Asb-14
CID 4046965
N-stearoyltaurine(1-)
CID 3856412
N-tetradecanoyltaurine(1-)
CID 3810822
N-hexadecanoyltaurine(1-)
CID 19790004
N-eicosanoyl-taurine
CID 119058186
N-tetracosanoyl-taurine
CID 119058187
N-tricosanoyl-taurine
CID 145944465
Dimethyl(3-((1-oxododecyl)amino)propyl)(3-sulphopropyl)ammonium hydroxide
CID 3034728
Ethanesulfonic acid, 2-[(1-oxooctadecyl)amino]-, sodium salt (1:1)
CID 23664344
2-(Docosanoylamino)ethanesulfonate
CID 145944464
3-[N,N-Dimethyl(3-palmitoylaminopropyl)ammonio]-propanesulfonate
CID 5067680
Dimethyl(3-stearamidepropyl)(3-sulphonatopropyl)ammonium
CID 88458

Frequently Asked Questions

What is the IUPAC name of N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide?
The IUPAC name of N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide (CID 25023567) is N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide.
What is the SMILES notation for N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide?
The canonical SMILES for N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide is CS(=O)(=O)NC1CCCCCCCCCCC(=O)NCCC1.
What is the InChIKey of N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide?
The InChIKey is MZUBTJHQFRHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-22(20,21)18-15-11-8-6-4-2-3-5-7-9-13-16(19)17-14-10-12-15/h15,18H,2-14H2,1H3,(H,17,19).
What are the key properties of N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide?
N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide has a molecular weight of 332.51 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-oxo-azacyclohexadec-5-yl)methanesulfonamide is sourced from PubChem (CID 25023567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).