N-prop-2-ynylpiperazine-1-sulfonamide

C7H13N3O2S — CID 28775542

IUPACN-prop-2-ynylpiperazine-1-sulfonamide
SMILESC#CCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-6-4-8-5-7-10/h1,8-9H,3-7H2
InChIKeyIEVHLPKGFUHMJT-UHFFFAOYSA-N
MW203.27 g/mol
LogP-1.64
Rot. Bonds3

About N-prop-2-ynylpiperazine-1-sulfonamide

N-prop-2-ynylpiperazine-1-sulfonamide (PubChem CID 28775542) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-prop-2-ynylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynylpiperazine-1-sulfonamide
PubChem CID28775542
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-prop-2-ynylpiperazine-1-sulfonamide
SMILESC#CCNS(=O)(=O)N1CCNCC1
InChIInChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-6-4-8-5-7-10/h1,8-9H,3-7H2
InChIKeyIEVHLPKGFUHMJT-UHFFFAOYSA-N
XLogP-1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]piperazine-1-sulfonamide
CID 117126296
N-methylpiperazine-1-sulfonamide;hydrochloride
CID 86812477
N-hex-1-yn-3-ylpiperazine-1-sulfonamide
CID 106231115
N-(2-methylsulfanylethyl)piperazine-1-sulfonamide
CID 63958312
N-[2-[ethyl(propyl)amino]ethyl]piperazine-1-sulfonamide
CID 114134192
N-[[1-(dimethylamino)cyclopentyl]methyl]piperazine-1-sulfonamide
CID 83121463
N-[[1-(dimethylamino)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 61252713
N-(4-hydroxy-2,2-dimethylbutyl)piperazine-1-sulfonamide
CID 106148888
N-(3-propoxypropyl)piperazine-1-sulfonamide
CID 82943293
N-[(2-methylcyclopentyl)methyl]piperazine-1-sulfonamide
CID 107419038
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
CID 63297119

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylpiperazine-1-sulfonamide?
The IUPAC name of N-prop-2-ynylpiperazine-1-sulfonamide (CID 28775542) is N-prop-2-ynylpiperazine-1-sulfonamide.
What is the SMILES notation for N-prop-2-ynylpiperazine-1-sulfonamide?
The canonical SMILES for N-prop-2-ynylpiperazine-1-sulfonamide is C#CCNS(=O)(=O)N1CCNCC1.
What is the InChIKey of N-prop-2-ynylpiperazine-1-sulfonamide?
The InChIKey is IEVHLPKGFUHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-3-9-13(11,12)10-6-4-8-5-7-10/h1,8-9H,3-7H2.
What are the key properties of N-prop-2-ynylpiperazine-1-sulfonamide?
N-prop-2-ynylpiperazine-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylpiperazine-1-sulfonamide is sourced from PubChem (CID 28775542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).