N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide

C11H19NO3S — CID 115650528

IUPACN-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H19NO3S/c1-3-6-10(4-2)12-16(13,14)9-11-7-5-8-15-11/h1,10-12H,4-9H2,2H3
InChIKeyHQHSCQWGNSVYPM-UHFFFAOYSA-N
MW245.34 g/mol
LogP0.89
Rot. Bonds6

About N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide

N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 115650528) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide
PubChem CID115650528
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC NameN-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide
SMILESC#CCC(CC)NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H19NO3S/c1-3-6-10(4-2)12-16(13,14)9-11-7-5-8-15-11/h1,10-12H,4-9H2,2H3
InChIKeyHQHSCQWGNSVYPM-UHFFFAOYSA-N
XLogP0.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyanobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55219930
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-hex-5-yn-3-ylcyclopropanesulfonamide
CID 115650578
N-(4-aminobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246921
1-[(2S)-oxolan-2-yl]-N-[(2R)-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 99827262
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
3-(oxolan-2-ylmethylsulfonylamino)butanethioamide
CID 63246950
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
(2R)-2-ethyloxolane
CID 641529
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide (CID 115650528) is N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide is C#CCC(CC)NS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is HQHSCQWGNSVYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-6-10(4-2)12-16(13,14)9-11-7-5-8-15-11/h1,10-12H,4-9H2,2H3.
What are the key properties of N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide?
N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 245.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 115650528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).