1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

C19H25N3OS — CID 97134586

IUPAC1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1
InChIInChI=1S/C19H25N3OS/c1-3-21-12-10-20-19(21)16-5-4-11-22(14-16)18(23)13-15-6-8-17(24-2)9-7-15/h6-10,12,16H,3-5,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyUKTVUNRLUYXXGU-INIZCTEOSA-N
MW343.50 g/mol
LogP3.57
Rot. Bonds5

About 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone (PubChem CID 97134586) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
PubChem CID97134586
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1
InChIInChI=1S/C19H25N3OS/c1-3-21-12-10-20-19(21)16-5-4-11-22(14-16)18(23)13-15-6-8-17(24-2)9-7-15/h6-10,12,16H,3-5,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyUKTVUNRLUYXXGU-INIZCTEOSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone 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

2-(4-methylsulfanylphenyl)-1-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97273820
(3R)-3-(1-ethylimidazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 97121117
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 72933365
1-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 96572042
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 72894557
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 72921411
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone (CID 97134586) is 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone is CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(SC)cc2)C1.
What is the InChIKey of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
The InChIKey is UKTVUNRLUYXXGU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-21-12-10-20-19(21)16-5-4-11-22(14-16)18(23)13-15-6-8-17(24-2)9-7-15/h6-10,12,16H,3-5,11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone?
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone has a molecular weight of 343.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 97134586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).