1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine

C13H19ClN2O2S — CID 166594815

IUPAC1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
SMILESO=S(O)NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-12-6-4-11(5-7-12)13(10-15-19(17)18)16-8-2-1-3-9-16/h4-7,13,15H,1-3,8-10H2,(H,17,18)
InChIKeyNCYYXAMKGKOHDO-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.59
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine

1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine (PubChem CID 166594815) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
PubChem CID166594815
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine
SMILESO=S(O)NCC(c1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C13H19ClN2O2S/c14-12-6-4-11(5-7-12)13(10-15-19(17)18)16-8-2-1-3-9-16/h4-7,13,15H,1-3,8-10H2,(H,17,18)
InChIKeyNCYYXAMKGKOHDO-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
2-[[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]carbamoylamino]acetamide
CID 125445207
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 122563662
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]methanimine
CID 150848803

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine (CID 166594815) is 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine is O=S(O)NCC(c1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine?
The InChIKey is NCYYXAMKGKOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-12-6-4-11(5-7-12)13(10-15-19(17)18)16-8-2-1-3-9-16/h4-7,13,15H,1-3,8-10H2,(H,17,18).
What are the key properties of 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine?
1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine has a molecular weight of 302.83 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-(sulfinoamino)ethyl]piperidine is sourced from PubChem (CID 166594815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).