N,N-bis(prop-2-enyl)octane-1-sulfonamide

C14H27NO2S — CID 88561748

IUPACN,N-bis(prop-2-enyl)octane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCCCCCC
InChIInChI=1S/C14H27NO2S/c1-4-7-8-9-10-11-14-18(16,17)15(12-5-2)13-6-3/h5-6H,2-4,7-14H2,1H3
InChIKeyKHYXAOITPAHXHS-UHFFFAOYSA-N
MW273.44 g/mol
LogP3.35
Rot. Bonds12

About N,N-bis(prop-2-enyl)octane-1-sulfonamide

N,N-bis(prop-2-enyl)octane-1-sulfonamide (PubChem CID 88561748) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)octane-1-sulfonamide
PubChem CID88561748
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN,N-bis(prop-2-enyl)octane-1-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)CCCCCCCC
InChIInChI=1S/C14H27NO2S/c1-4-7-8-9-10-11-14-18(16,17)15(12-5-2)13-6-3/h5-6H,2-4,7-14H2,1H3
InChIKeyKHYXAOITPAHXHS-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-prop-2-enyl-N-propylbutane-1-sulfonamide
CID 116816411
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
N,N-diaminopentane-1-sulfonamide
CID 88729680
N'-[(E)-4-hydroxybut-2-enyl]-N,N,N'-tris(prop-2-enyl)propane-1,3-disulfonamide
CID 53361211
N,N-dimethylheptane-1-sulfonamide
CID 118391256
1-prop-2-enylsulfonylhexane
CID 26365912
6-[butylsulfonyl(prop-2-enyl)amino]-2-(decanoylamino)hexanoic acid
CID 101015983
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
4-amino-N-(2-methoxyethyl)-N-prop-2-enylbutane-1-sulfonamide
CID 103340731
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)octane-1-sulfonamide?
The IUPAC name of N,N-bis(prop-2-enyl)octane-1-sulfonamide (CID 88561748) is N,N-bis(prop-2-enyl)octane-1-sulfonamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)octane-1-sulfonamide?
The canonical SMILES for N,N-bis(prop-2-enyl)octane-1-sulfonamide is C=CCN(CC=C)S(=O)(=O)CCCCCCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)octane-1-sulfonamide?
The InChIKey is KHYXAOITPAHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-4-7-8-9-10-11-14-18(16,17)15(12-5-2)13-6-3/h5-6H,2-4,7-14H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)octane-1-sulfonamide?
N,N-bis(prop-2-enyl)octane-1-sulfonamide has a molecular weight of 273.44 g/mol, XLogP of 3.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)octane-1-sulfonamide is sourced from PubChem (CID 88561748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).