2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine

C14H29NS — CID 139940363

IUPAC2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine
SMILESCCCCCSC(C)N1CCCCC1(C)C
InChIInChI=1S/C14H29NS/c1-5-6-9-12-16-13(2)15-11-8-7-10-14(15,3)4/h13H,5-12H2,1-4H3
InChIKeyFFUVDQONHPZLGV-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.52
Rot. Bonds6

About 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine

2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine (PubChem CID 139940363) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine
PubChem CID139940363
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine
SMILESCCCCCSC(C)N1CCCCC1(C)C
InChIInChI=1S/C14H29NS/c1-5-6-9-12-16-13(2)15-11-8-7-10-14(15,3)4/h13H,5-12H2,1-4H3
InChIKeyFFUVDQONHPZLGV-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-pentyl-1-propan-2-ylazepane
CID 168995582
1,1-dihexadecylcyclopentane
CID 141255150
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027
1,1-di(nonyl)cyclopentane
CID 154318487
1-heptan-3-yl-2-methylpiperidine-2-carboxylic acid
CID 104599181
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
1,4-bis(decylsulfanyl)piperazine
CID 163559724
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
N-methyl-1-(1-pentylcyclohexyl)methanamine
CID 62725569
(1-hexylcyclohexyl)methanol
CID 66024993

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine?
The IUPAC name of 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine (CID 139940363) is 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine.
What is the SMILES notation for 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine?
The canonical SMILES for 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine is CCCCCSC(C)N1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine?
The InChIKey is FFUVDQONHPZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-6-9-12-16-13(2)15-11-8-7-10-14(15,3)4/h13H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine?
2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine has a molecular weight of 243.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine is sourced from PubChem (CID 139940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).