3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide

C19H28N2OS2 — CID 100682032

IUPAC3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCC1CCN([C@H]2CCSC2)CC1
InChIInChI=1S/C19H28N2OS2/c22-19(9-13-24-18-4-2-1-3-5-18)20-14-16-6-10-21(11-7-16)17-8-12-23-15-17/h1-5,16-17H,6-15H2,(H,20,22)/t17-/m0/s1
InChIKeyYUPMFXIKMZFOLK-KRWDZBQOSA-N
MW364.58 g/mol
LogP3.50
Rot. Bonds7

About 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide

3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide (PubChem CID 100682032) has the molecular formula C19H28N2OS2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
PubChem CID100682032
Molecular FormulaC19H28N2OS2
Molecular Weight364.58 g/mol
Exact Mass364.16
IUPAC Name3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
SMILESO=C(CCSc1ccccc1)NCC1CCN([C@H]2CCSC2)CC1
InChIInChI=1S/C19H28N2OS2/c22-19(9-13-24-18-4-2-1-3-5-18)20-14-16-6-10-21(11-7-16)17-8-12-23-15-17/h1-5,16-17H,6-15H2,(H,20,22)/t17-/m0/s1
InChIKeyYUPMFXIKMZFOLK-KRWDZBQOSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-phenylsulfanylpropanamide
CID 51076427
2-(2-chlorophenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681734
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
N'-(1-phenylethyl)-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]oxamide
CID 91624154
2-(2-methylphenoxy)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]acetamide
CID 100681688
N'-(2-methylsulfanylphenyl)-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]oxamide
CID 100684012
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813128
N'-phenyl-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]oxamide
CID 91814292
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanamide
CID 71961558
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91813106
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55315732

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide (CID 100682032) is 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide is O=C(CCSc1ccccc1)NCC1CCN([C@H]2CCSC2)CC1.
What is the InChIKey of 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide?
The InChIKey is YUPMFXIKMZFOLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N2OS2/c22-19(9-13-24-18-4-2-1-3-5-18)20-14-16-6-10-21(11-7-16)17-8-12-23-15-17/h1-5,16-17H,6-15H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide?
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide has a molecular weight of 364.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 100682032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).