1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one

C17H23N3O2S — CID 70716112

IUPAC1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
SMILESCc1cccc(SC2CCN(C(=O)C3CN(C)C(=O)N3)CC2)c1
InChIInChI=1S/C17H23N3O2S/c1-12-4-3-5-14(10-12)23-13-6-8-20(9-7-13)16(21)15-11-19(2)17(22)18-15/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyDLGNSFPXVHVETL-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.10
Rot. Bonds3

About 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one

1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one (PubChem CID 70716112) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
PubChem CID70716112
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
SMILESCc1cccc(SC2CCN(C(=O)C3CN(C)C(=O)N3)CC2)c1
InChIInChI=1S/C17H23N3O2S/c1-12-4-3-5-14(10-12)23-13-6-8-20(9-7-13)16(21)15-11-19(2)17(22)18-15/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,18,22)
InChIKeyDLGNSFPXVHVETL-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
2-methyl-6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]pyran-4-one
CID 118788868
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
1H-indazol-3-yl-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 70771975
6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 74244352
4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70745652
4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 77096850
[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70776396
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
[(4S)-4-amino-5-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-5-oxopentyl]urea;hydrochloride
CID 154896418
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(3-methylphenyl)sulfanylpiperidine-1-carboxamide
CID 119063341
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 72904763

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one (CID 70716112) is 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one is Cc1cccc(SC2CCN(C(=O)C3CN(C)C(=O)N3)CC2)c1.
What is the InChIKey of 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is DLGNSFPXVHVETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-4-3-5-14(10-12)23-13-6-8-20(9-7-13)16(21)15-11-19(2)17(22)18-15/h3-5,10,13,15H,6-9,11H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 333.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 70716112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).