N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide

C12H24N2O2S — CID 79672716

IUPACN-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-9-14(17(15,16)10-4-2)12-7-5-11(13)6-8-12/h4,11-12H,2-3,5-10,13H2,1H3
InChIKeyHGJMZSLCRBEJFE-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.48
Rot. Bonds6

About N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide

N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide (PubChem CID 79672716) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
PubChem CID79672716
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCC)C1CCC(N)CC1
InChIInChI=1S/C12H24N2O2S/c1-3-9-14(17(15,16)10-4-2)12-7-5-11(13)6-8-12/h4,11-12H,2-3,5-10,13H2,1H3
InChIKeyHGJMZSLCRBEJFE-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide (CID 79672716) is N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CCC)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide?
The InChIKey is HGJMZSLCRBEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-9-14(17(15,16)10-4-2)12-7-5-11(13)6-8-12/h4,11-12H,2-3,5-10,13H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide?
N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-propylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 79672716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).