N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide

C11H21NO2S — CID 106210034

IUPACN-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
SMILESC#CCCCCNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-5-6-7-8-9-12-15(13,14)10-11(2,3)4/h1,12H,6-10H2,2-4H3
InChIKeyDIKKWYHEVXNHNK-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.76
Rot. Bonds6

About N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide

N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide (PubChem CID 106210034) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
PubChem CID106210034
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
SMILESC#CCCCCNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-5-6-7-8-9-12-15(13,14)10-11(2,3)4/h1,12H,6-10H2,2-4H3
InChIKeyDIKKWYHEVXNHNK-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
3-(hex-5-ynylsulfamoyl)-2-methylbenzoic acid
CID 106208962
5-amino-4-chloro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 106208464

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide (CID 106210034) is N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide is C#CCCCCNS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is DIKKWYHEVXNHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-6-7-8-9-12-15(13,14)10-11(2,3)4/h1,12H,6-10H2,2-4H3.
What are the key properties of N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide?
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 106210034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).