2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C18H29N3OS — CID 91841910

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCN(C)C(=O)CN2CCC(N(C)C)C2)cc1
InChIInChI=1S/C18H29N3OS/c1-15-5-7-17(8-6-15)23-12-11-20(4)18(22)14-21-10-9-16(13-21)19(2)3/h5-8,16H,9-14H2,1-4H3
InChIKeyWPEROTBIHYNEBH-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.18
Rot. Bonds7

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 91841910) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID91841910
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCN(C)C(=O)CN2CCC(N(C)C)C2)cc1
InChIInChI=1S/C18H29N3OS/c1-15-5-7-17(8-6-15)23-12-11-20(4)18(22)14-21-10-9-16(13-21)19(2)3/h5-8,16H,9-14H2,1-4H3
InChIKeyWPEROTBIHYNEBH-UHFFFAOYSA-N
XLogP2.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 77094145
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-(oxan-4-yl)acetamide
CID 50960621
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-methylsulfanylphenyl)methyl]acetamide
CID 91833363
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445012
N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126445011
(3S)-1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 97207631
1-(2-methoxyacetyl)-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72927509
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 114681230
3-[cyclopropyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanoic acid
CID 60844706
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one
CID 79410531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 91841910) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCN(C)C(=O)CN2CCC(N(C)C)C2)cc1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is WPEROTBIHYNEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-15-5-7-17(8-6-15)23-12-11-20(4)18(22)14-21-10-9-16(13-21)19(2)3/h5-8,16H,9-14H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 335.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 91841910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).