N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane

C16H39NO2S — CID 144881759

IUPACN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane
SMILESCC/C=C/CCC(C)(C)NS(C)(=O)=O.CCC.CCC.[H][H]
InChIInChI=1S/C10H21NO2S.2C3H8.H2/c1-5-6-7-8-9-10(2,3)11-14(4,12)13;2*1-3-2;/h6-7,11H,5,8-9H2,1-4H3;2*3H2,1-2H3;1H/b7-6+;;;
InChIKeyJZSCWRKRLQJZFJ-ZMVRRDJGSA-N
MW309.56 g/mol
LogP5.14
Rot. Bonds6

About N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane

N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane (PubChem CID 144881759) has the molecular formula C16H39NO2S and a molecular weight of 309.56 g/mol. Its IUPAC name is N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane.

Molecular Properties

Compound NameN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane
PubChem CID144881759
Molecular FormulaC16H39NO2S
Molecular Weight309.56 g/mol
Exact Mass309.27
IUPAC NameN-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane
SMILESCC/C=C/CCC(C)(C)NS(C)(=O)=O.CCC.CCC.[H][H]
InChIInChI=1S/C10H21NO2S.2C3H8.H2/c1-5-6-7-8-9-10(2,3)11-14(4,12)13;2*1-3-2;/h6-7,11H,5,8-9H2,1-4H3;2*3H2,1-2H3;1H/b7-6+;;;
InChIKeyJZSCWRKRLQJZFJ-ZMVRRDJGSA-N
XLogP5.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
2,2-dimethyloct-5-enamide
CID 174985624
N-(2-methyl-1-pyrrol-1-ylpropan-2-yl)methanesulfonamide
CID 63858847
8-fluoro-7,7-dimethyloct-3-ene
CID 174848410
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
dimethyl 2,2-bis[(Z)-hex-3-enyl]propanedioate
CID 166006092
(E,3R)-1-amino-3-ethylnon-6-en-3-ol
CID 170291638
N-[4-(dimethylamino)-2,4-dimethylpentan-2-yl]methanesulfonamide
CID 89331793
(Z)-7-ethylsulfonylhept-3-ene
CID 89382151
N-tert-butylhex-3-en-1-amine
CID 112734327
(E)-N-propan-2-ylhex-3-ene-1-sulfonothioamide
CID 135220057

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane?
The IUPAC name of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane (CID 144881759) is N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane.
What is the SMILES notation for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane?
The canonical SMILES for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane is CC/C=C/CCC(C)(C)NS(C)(=O)=O.CCC.CCC.[H][H].
What is the InChIKey of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane?
The InChIKey is JZSCWRKRLQJZFJ-ZMVRRDJGSA-N. The full InChI is InChI=1S/C10H21NO2S.2C3H8.H2/c1-5-6-7-8-9-10(2,3)11-14(4,12)13;2*1-3-2;/h6-7,11H,5,8-9H2,1-4H3;2*3H2,1-2H3;1H/b7-6+;;;.
What are the key properties of N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane?
N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane has a molecular weight of 309.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methyloct-5-en-2-yl]methanesulfonamide;molecular hydrogen;propane is sourced from PubChem (CID 144881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).