N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide

C15H28N2O2S — CID 123806453

IUPACN-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCC=C(C(=CC)N(CCCNCC)S(C)(=O)=O)C1CC1
InChIInChI=1S/C15H28N2O2S/c1-5-14(13-9-10-13)15(6-2)17(20(4,18)19)12-8-11-16-7-3/h5-6,13,16H,7-12H2,1-4H3
InChIKeyPHAOHYQRGONDKJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.51
Rot. Bonds9

About N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide

N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide (PubChem CID 123806453) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
PubChem CID123806453
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCC=C(C(=CC)N(CCCNCC)S(C)(=O)=O)C1CC1
InChIInChI=1S/C15H28N2O2S/c1-5-14(13-9-10-13)15(6-2)17(20(4,18)19)12-8-11-16-7-3/h5-6,13,16H,7-12H2,1-4H3
InChIKeyPHAOHYQRGONDKJ-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The IUPAC name of N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide (CID 123806453) is N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide is CC=C(C(=CC)N(CCCNCC)S(C)(=O)=O)C1CC1.
What is the InChIKey of N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The InChIKey is PHAOHYQRGONDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-5-14(13-9-10-13)15(6-2)17(20(4,18)19)12-8-11-16-7-3/h5-6,13,16H,7-12H2,1-4H3.
What are the key properties of N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide has a molecular weight of 300.47 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 123806453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).