N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C11H21N3S — CID 65127541

IUPACN-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1nccn1C
InChIInChI=1S/C11H21N3S/c1-4-6-12-10(9-15-5-2)11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyUBHHMPMPWKSJGK-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.21
Rot. Bonds7

About N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 65127541) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID65127541
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(CSCC)c1nccn1C
InChIInChI=1S/C11H21N3S/c1-4-6-12-10(9-15-5-2)11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyUBHHMPMPWKSJGK-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-ethylsulfanyl-1-(1-methylimidazol-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-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65135149
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 66161600
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 65127541) is N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(CSCC)c1nccn1C.
What is the InChIKey of N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is UBHHMPMPWKSJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-6-12-10(9-15-5-2)11-13-7-8-14(11)3/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65127541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).