N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide

C13H24N2O2S2 — CID 63993076

IUPACN-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1sccc1C)S(C)(=O)=O
InChIInChI=1S/C13H24N2O2S2/c1-5-15(19(4,16)17)9-6-8-14-12(3)13-11(2)7-10-18-13/h7,10,12,14H,5-6,8-9H2,1-4H3
InChIKeyCYFRPTXBVUKIIB-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.38
Rot. Bonds8

About N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide (PubChem CID 63993076) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
PubChem CID63993076
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1sccc1C)S(C)(=O)=O
InChIInChI=1S/C13H24N2O2S2/c1-5-15(19(4,16)17)9-6-8-14-12(3)13-11(2)7-10-18-13/h7,10,12,14H,5-6,8-9H2,1-4H3
InChIKeyCYFRPTXBVUKIIB-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)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

Related Compounds

N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61013535
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide (CID 63993076) is N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide is CCN(CCCNC(C)c1sccc1C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide?
The InChIKey is CYFRPTXBVUKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-15(19(4,16)17)9-6-8-14-12(3)13-11(2)7-10-18-13/h7,10,12,14H,5-6,8-9H2,1-4H3.
What are the key properties of N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 63993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).