N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide

C11H24N2O2S — CID 107402812

IUPACN-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)CCCNC
InChIInChI=1S/C11H24N2O2S/c1-3-13(10-11-6-4-7-11)16(14,15)9-5-8-12-2/h11-12H,3-10H2,1-2H3
InChIKeyJNUFLSRWKLXHIX-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.05
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide (PubChem CID 107402812) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
PubChem CID107402812
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)CCCNC
InChIInChI=1S/C11H24N2O2S/c1-3-13(10-11-6-4-7-11)16(14,15)9-5-8-12-2/h11-12H,3-10H2,1-2H3
InChIKeyJNUFLSRWKLXHIX-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide 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-(cyclopropylmethyl)-N-ethyl-2-(methylamino)ethanesulfonamide
CID 63955440
N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
CID 107402874
3-chloro-N-(cyclopropylmethyl)-N-ethylpropane-1-sulfonamide
CID 63938909
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
CID 62854210
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
N-[3-(dimethylamino)propyl]-N-ethyl-3-(methylamino)propane-1-sulfonamide
CID 102998608
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
N-(cyclobutylmethyl)-N-ethyl-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107402831
N-ethyl-4-(methylamino)-N-(2-methylbutyl)butane-1-sulfonamide
CID 79469772
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111804893
N-ethyl-2-methoxy-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717472
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide (CID 107402812) is N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide is CCN(CC1CCC1)S(=O)(=O)CCCNC.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide?
The InChIKey is JNUFLSRWKLXHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-13(10-11-6-4-7-11)16(14,15)9-5-8-12-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 107402812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).