(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide

C19H31N3OS — CID 95274469

IUPAC(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3OS/c1-15(24-4)19(23)20-18(16-8-6-5-7-9-16)14-22(3)17-10-12-21(2)13-11-17/h5-9,15,17-18H,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyWJSKOYXJUZFGHL-CRAIPNDOSA-N
MW349.54 g/mol
LogP2.62
Rot. Bonds7

About (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide

(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide (PubChem CID 95274469) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
PubChem CID95274469
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C19H31N3OS/c1-15(24-4)19(23)20-18(16-8-6-5-7-9-16)14-22(3)17-10-12-21(2)13-11-17/h5-9,15,17-18H,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyWJSKOYXJUZFGHL-CRAIPNDOSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methylsulfanyl-N-[(1S)-2-methylsulfanyl-1-phenylethyl]propanamide
CID 97214831
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 124739786
N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52539552
1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 95593569
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 47087770
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(3-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 52539539
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
(1S)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 129434121
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide (CID 95274469) is (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)N[C@H](CN(C)C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide?
The InChIKey is WJSKOYXJUZFGHL-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(24-4)19(23)20-18(16-8-6-5-7-9-16)14-22(3)17-10-12-21(2)13-11-17/h5-9,15,17-18H,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide?
(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide has a molecular weight of 349.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 95274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).