3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide

C11H21NO2S — CID 103698152

IUPAC3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
SMILESC#CCCCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-5-6-7-9-12-15(13,14)10-8-11(2,3)4/h1,12H,6-10H2,2-4H3
InChIKeyLPQKGIYCBFOXDE-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.76
Rot. Bonds6

About 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide

3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide (PubChem CID 103698152) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
PubChem CID103698152
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Name3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
SMILESC#CCCCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H21NO2S/c1-5-6-7-9-12-15(13,14)10-8-11(2,3)4/h1,12H,6-10H2,2-4H3
InChIKeyLPQKGIYCBFOXDE-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

N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
1-chloro-N-pent-4-ynylmethanesulfonamide
CID 106223218
N-(tert-butylsulfamoyl)pent-4-yn-1-amine
CID 106223279
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(methylsulfamoyl)pent-4-yn-1-amine
CID 106223287
9,9-dimethyldec-1-yne
CID 169300385
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide?
The IUPAC name of 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide (CID 103698152) is 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide?
The canonical SMILES for 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide is C#CCCCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide?
The InChIKey is LPQKGIYCBFOXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-5-6-7-9-12-15(13,14)10-8-11(2,3)4/h1,12H,6-10H2,2-4H3.
What are the key properties of 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide?
3,3-dimethyl-N-pent-4-ynylbutane-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 3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide is sourced from PubChem (CID 103698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).