N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide

C9H16N2O2S — CID 71792442

IUPACN-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide
SMILESCN(C)CC#CCNS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O2S/c1-11(2)8-4-3-7-10-14(12,13)9-5-6-9/h9-10H,5-8H2,1-2H3
InChIKeySUCIIXQMXXDDMO-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.37
Rot. Bonds4

About N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide

N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide (PubChem CID 71792442) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide
PubChem CID71792442
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide
SMILESCN(C)CC#CCNS(=O)(=O)C1CC1
InChIInChI=1S/C9H16N2O2S/c1-11(2)8-4-3-7-10-14(12,13)9-5-6-9/h9-10H,5-8H2,1-2H3
InChIKeySUCIIXQMXXDDMO-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide (CID 71792442) is N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide is CN(C)CC#CCNS(=O)(=O)C1CC1.
What is the InChIKey of N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide?
The InChIKey is SUCIIXQMXXDDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(2)8-4-3-7-10-14(12,13)9-5-6-9/h9-10H,5-8H2,1-2H3.
What are the key properties of N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide?
N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide has a molecular weight of 216.31 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)but-2-ynyl]cyclopropanesulfonamide is sourced from PubChem (CID 71792442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).