4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine

C19H30N2OS — CID 163259421

IUPAC4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
SMILESCC(C)C1CCCN(Cc2ccccc2SN2CCOCC2)C1
InChIInChI=1S/C19H30N2OS/c1-16(2)17-7-5-9-20(14-17)15-18-6-3-4-8-19(18)23-21-10-12-22-13-11-21/h3-4,6,8,16-17H,5,7,9-15H2,1-2H3
InChIKeyWNBJGYWRJSDYNU-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.89
Rot. Bonds5

About 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine

4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine (PubChem CID 163259421) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine.

Molecular Properties

Compound Name4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
PubChem CID163259421
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
SMILESCC(C)C1CCCN(Cc2ccccc2SN2CCOCC2)C1
InChIInChI=1S/C19H30N2OS/c1-16(2)17-7-5-9-20(14-17)15-18-6-3-4-8-19(18)23-21-10-12-22-13-11-21/h3-4,6,8,16-17H,5,7,9-15H2,1-2H3
InChIKeyWNBJGYWRJSDYNU-UHFFFAOYSA-N
XLogP3.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3-fluoro-3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine
CID 163259033
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669040
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
1-[(2-methylsulfanylphenyl)methyl]azetidine
CID 131107256
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
N-[1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethyl]propan-1-amine
CID 63853944

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine?
The IUPAC name of 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine (CID 163259421) is 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine.
What is the SMILES notation for 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine?
The canonical SMILES for 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine is CC(C)C1CCCN(Cc2ccccc2SN2CCOCC2)C1.
What is the InChIKey of 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine?
The InChIKey is WNBJGYWRJSDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c1-16(2)17-7-5-9-20(14-17)15-18-6-3-4-8-19(18)23-21-10-12-22-13-11-21/h3-4,6,8,16-17H,5,7,9-15H2,1-2H3.
What are the key properties of 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine?
4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine has a molecular weight of 334.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfanylmorpholine is sourced from PubChem (CID 163259421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).