4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine

C16H24N2OS — CID 123799791

IUPAC4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
SMILESCC1(N=O)CCN(CCCCSc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-16(17-19)9-12-18(13-10-16)11-5-6-14-20-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyMGTYJPNPBOSKDH-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.18
Rot. Bonds7

About 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine

4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine (PubChem CID 123799791) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine.

Molecular Properties

Compound Name4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
PubChem CID123799791
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine
SMILESCC1(N=O)CCN(CCCCSc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c1-16(17-19)9-12-18(13-10-16)11-5-6-14-20-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyMGTYJPNPBOSKDH-UHFFFAOYSA-N
XLogP4.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(4-phenylsulfanylbutyl)piperidine-4-carboxylic acid
CID 175209892
7-(4-phenylsulfanylbutyl)-2,7-diazaspiro[3.5]nonane
CID 170584124
1-(6-phenylsulfanylhexyl)pyrrolidine
CID 11857934
4,4-dimethyl-1-(2-phenylsulfanylethyl)piperidine
CID 18723211
4-methyl-1-(2-phenylsulfanylethyl)piperidine-4-carboxylic acid
CID 79228199
1-ethyl-4-(4-phenylsulfanylbutyl)piperazine;oxalic acid
CID 2961167
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
1-(3-phenylsulfanylpropyl)piperidine;hydrochloride
CID 3038686
1-(2-phenylsulfanylethyl)-4-propylpiperidine-4-carboxylic acid
CID 79228801
3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid
CID 79228539
3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
CID 103728813
(4S)-1-methyl-2-oxo-8-(2-phenylsulfanylethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97208323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine?
The IUPAC name of 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine (CID 123799791) is 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine.
What is the SMILES notation for 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine?
The canonical SMILES for 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine is CC1(N=O)CCN(CCCCSc2ccccc2)CC1.
What is the InChIKey of 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine?
The InChIKey is MGTYJPNPBOSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(17-19)9-12-18(13-10-16)11-5-6-14-20-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3.
What are the key properties of 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine?
4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine has a molecular weight of 292.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-nitroso-1-(4-phenylsulfanylbutyl)piperidine is sourced from PubChem (CID 123799791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).