N-prop-2-ynylbutane-1-sulfonamide

C7H13NO2S — CID 61342656

IUPACN-prop-2-ynylbutane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CCCC
InChIInChI=1S/C7H13NO2S/c1-3-5-7-11(9,10)8-6-4-2/h2,8H,3,5-7H2,1H3
InChIKeyKXRQJUKOTKNFCW-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.34
Rot. Bonds5

About N-prop-2-ynylbutane-1-sulfonamide

N-prop-2-ynylbutane-1-sulfonamide (PubChem CID 61342656) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is N-prop-2-ynylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynylbutane-1-sulfonamide
PubChem CID61342656
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC NameN-prop-2-ynylbutane-1-sulfonamide
SMILESC#CCNS(=O)(=O)CCCC
InChIInChI=1S/C7H13NO2S/c1-3-5-7-11(9,10)8-6-4-2/h2,8H,3,5-7H2,1H3
InChIKeyKXRQJUKOTKNFCW-UHFFFAOYSA-N
XLogP0.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-prop-2-ynylbutane-1-sulfonamide?
The IUPAC name of N-prop-2-ynylbutane-1-sulfonamide (CID 61342656) is N-prop-2-ynylbutane-1-sulfonamide.
What is the SMILES notation for N-prop-2-ynylbutane-1-sulfonamide?
The canonical SMILES for N-prop-2-ynylbutane-1-sulfonamide is C#CCNS(=O)(=O)CCCC.
What is the InChIKey of N-prop-2-ynylbutane-1-sulfonamide?
The InChIKey is KXRQJUKOTKNFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-5-7-11(9,10)8-6-4-2/h2,8H,3,5-7H2,1H3.
What are the key properties of N-prop-2-ynylbutane-1-sulfonamide?
N-prop-2-ynylbutane-1-sulfonamide has a molecular weight of 175.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylbutane-1-sulfonamide is sourced from PubChem (CID 61342656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).