N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C12H23N3O2S — CID 115622276

IUPACN-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1nccn1CCC
InChIInChI=1S/C12H23N3O2S/c1-4-6-13-11(10-18(3,16)17)12-14-7-9-15(12)8-5-2/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyNXHLPPIQHQOPMK-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.38
Rot. Bonds8

About N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 115622276) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID115622276
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1nccn1CCC
InChIInChI=1S/C12H23N3O2S/c1-4-6-13-11(10-18(3,16)17)12-14-7-9-15(12)8-5-2/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyNXHLPPIQHQOPMK-UHFFFAOYSA-N
XLogP1.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine 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-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
N-[2-(2-bromophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63968561
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
2-methylsulfonyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 115858993
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 115622276) is N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)c1nccn1CCC.
What is the InChIKey of N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NXHLPPIQHQOPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-6-13-11(10-18(3,16)17)12-14-7-9-15(12)8-5-2/h7,9,11,13H,4-6,8,10H2,1-3H3.
What are the key properties of N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfonyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115622276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).