N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide

C12H26N2O2S — CID 106013598

IUPACN-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-13-10-11-17(15,16)14-9-5-8-12-6-3-4-7-12/h12-14H,2-11H2,1H3
InChIKeyDADNKGNYHHGSKU-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.49
Rot. Bonds9

About N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide

N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide (PubChem CID 106013598) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
PubChem CID106013598
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCCCC1CCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-13-10-11-17(15,16)14-9-5-8-12-6-3-4-7-12/h12-14H,2-11H2,1H3
InChIKeyDADNKGNYHHGSKU-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
CID 116816598
1-(3-cyclohexylpropyl)-3-ethyl-2-[3-(ethylsulfonylamino)propyl]guanidine
CID 111947635
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-(3-cyclopentylpropyl)-1-piperidin-2-ylmethanesulfonamide
CID 106013597

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide (CID 106013598) is N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide?
The InChIKey is DADNKGNYHHGSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-13-10-11-17(15,16)14-9-5-8-12-6-3-4-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide?
N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 106013598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).