N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide

C9H17NO2S — CID 114419155

IUPACN-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
SMILESC#CC(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C9H17NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyDWVZCLHVPGQJBY-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.97
Rot. Bonds5

About N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide

N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide (PubChem CID 114419155) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
PubChem CID114419155
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-but-3-yn-2-yl-3-methylbutane-1-sulfonamide
SMILESC#CC(C)NS(=O)(=O)CCC(C)C
InChIInChI=1S/C9H17NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h1,8-10H,6-7H2,2-4H3
InChIKeyDWVZCLHVPGQJBY-UHFFFAOYSA-N
XLogP0.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-but-3-yn-2-ylmethanesulfonamide
CID 114418738
N-but-3-yn-2-yl-2-(ethylamino)ethanesulfonamide
CID 114418198
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
CID 63856585
N-(1-aminopentan-2-yl)-3-methylbutane-1-sulfonamide
CID 63834752
N-but-3-yn-2-yl-1-piperidin-4-ylmethanesulfonamide
CID 114418202
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylbutane-1-sulfonamide
CID 106356613
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
CID 63856064
2-chloro-N-pent-4-yn-2-ylethanesulfonamide
CID 107652458
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide?
The IUPAC name of N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide (CID 114419155) is N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide is C#CC(C)NS(=O)(=O)CCC(C)C.
What is the InChIKey of N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide?
The InChIKey is DWVZCLHVPGQJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-5-9(4)10-13(11,12)7-6-8(2)3/h1,8-10H,6-7H2,2-4H3.
What are the key properties of N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide?
N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 114419155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).