N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide

C15H26N2O2S — CID 123899848

IUPACN-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCN(C1=CCCC=C1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-3-16-11-6-12-17(20(2,18)19)15-8-5-4-7-14(15)13-9-10-13/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyRJXNWGMSEYFSOM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.26
Rot. Bonds8

About N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide

N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide (PubChem CID 123899848) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
PubChem CID123899848
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
SMILESCCNCCCN(C1=CCCC=C1C1CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N2O2S/c1-3-16-11-6-12-17(20(2,18)19)15-8-5-4-7-14(15)13-9-10-13/h7-8,13,16H,3-6,9-12H2,1-2H3
InChIKeyRJXNWGMSEYFSOM-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The IUPAC name of N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide (CID 123899848) is N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The canonical SMILES for N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide is CCNCCCN(C1=CCCC=C1C1CC1)S(C)(=O)=O.
What is the InChIKey of N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
The InChIKey is RJXNWGMSEYFSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-16-11-6-12-17(20(2,18)19)15-8-5-4-7-14(15)13-9-10-13/h7-8,13,16H,3-6,9-12H2,1-2H3.
What are the key properties of N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide?
N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 123899848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).