2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

C16H24N2O2S — CID 95617067

IUPAC2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(SCC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C16H24N2O2S/c1-18-8-4-5-13(11-18)10-17-16(19)12-21-15-7-3-6-14(9-15)20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyRQQSUVJYIHTIJF-CYBMUJFWSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 95617067) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID95617067
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCOc1cccc(SCC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C16H24N2O2S/c1-18-8-4-5-13(11-18)10-17-16(19)12-21-15-7-3-6-14(9-15)20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyRQQSUVJYIHTIJF-CYBMUJFWSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(2-methylphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95208865
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(1-cyclopropylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47937957
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
CID 95979549
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
1-[2-(3-methoxyphenyl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 119357019

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (CID 95617067) is 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is COc1cccc(SCC(=O)NC[C@H]2CCCN(C)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is RQQSUVJYIHTIJF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-18-8-4-5-13(11-18)10-17-16(19)12-21-15-7-3-6-14(9-15)20-2/h3,6-7,9,13H,4-5,8,10-12H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95617067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).