N-cyclopropyl-N-prop-2-ynylmethanesulfonamide

C7H11NO2S — CID 130922815

IUPACN-cyclopropyl-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-3-6-8(7-4-5-7)11(2,9)10/h1,7H,4-6H2,2H3
InChIKeyLODZVHHFBASUGU-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.04
Rot. Bonds3

About N-cyclopropyl-N-prop-2-ynylmethanesulfonamide

N-cyclopropyl-N-prop-2-ynylmethanesulfonamide (PubChem CID 130922815) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N-cyclopropyl-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-prop-2-ynylmethanesulfonamide
PubChem CID130922815
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN-cyclopropyl-N-prop-2-ynylmethanesulfonamide
SMILESC#CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-3-6-8(7-4-5-7)11(2,9)10/h1,7H,4-6H2,2H3
InChIKeyLODZVHHFBASUGU-UHFFFAOYSA-N
XLogP0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.04
H-Bond Donors ≤ 50
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-cyclopropyl-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of N-cyclopropyl-N-prop-2-ynylmethanesulfonamide (CID 130922815) is N-cyclopropyl-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-prop-2-ynylmethanesulfonamide is C#CCN(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-N-prop-2-ynylmethanesulfonamide?
The InChIKey is LODZVHHFBASUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-3-6-8(7-4-5-7)11(2,9)10/h1,7H,4-6H2,2H3.
What are the key properties of N-cyclopropyl-N-prop-2-ynylmethanesulfonamide?
N-cyclopropyl-N-prop-2-ynylmethanesulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 130922815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).