N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide

C12H26N2O2S — CID 113479488

IUPACN-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCCC1CCC1
InChIInChI=1S/C12H26N2O2S/c1-2-13-9-3-4-11-17(15,16)14-10-8-12-6-5-7-12/h12-14H,2-11H2,1H3
InChIKeyUYHINNKUNFVEBV-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.49
Rot. Bonds10

About N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide

N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 113479488) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID113479488
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)NCCC1CCC1
InChIInChI=1S/C12H26N2O2S/c1-2-13-9-3-4-11-17(15,16)14-10-8-12-6-5-7-12/h12-14H,2-11H2,1H3
InChIKeyUYHINNKUNFVEBV-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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'}

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Related Compounds

N-(3-cyclopentylpropyl)-2-(ethylamino)ethanesulfonamide
CID 106013598
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520
N-(3-butoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106080386
4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 106082653
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
CID 106016480
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide (CID 113479488) is N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is UYHINNKUNFVEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-13-9-3-4-11-17(15,16)14-10-8-12-6-5-7-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide?
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 113479488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).