N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide

C11H21NO2S — CID 64584945

IUPACN-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)CCC
InChIInChI=1S/C11H21NO2S/c1-3-9-12(11-7-5-6-8-11)15(13,14)10-4-2/h3,11H,1,4-10H2,2H3
InChIKeyNHJIZSBQCPUAEX-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.16
Rot. Bonds6

About N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide

N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide (PubChem CID 64584945) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide
PubChem CID64584945
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide
SMILESC=CCN(C1CCCC1)S(=O)(=O)CCC
InChIInChI=1S/C11H21NO2S/c1-3-9-12(11-7-5-6-8-11)15(13,14)10-4-2/h3,11H,1,4-10H2,2H3
InChIKeyNHJIZSBQCPUAEX-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide?
The IUPAC name of N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide (CID 64584945) is N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide is C=CCN(C1CCCC1)S(=O)(=O)CCC.
What is the InChIKey of N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide?
The InChIKey is NHJIZSBQCPUAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-3-9-12(11-7-5-6-8-11)15(13,14)10-4-2/h3,11H,1,4-10H2,2H3.
What are the key properties of N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide?
N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide has a molecular weight of 231.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-prop-2-enylpropane-1-sulfonamide is sourced from PubChem (CID 64584945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).