methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane

C14H30NO2PS — CID 11862385

IUPACmethyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCCCCO[P@](C)(=S)O[C@H](C)CN1CCCCC1
InChIInChI=1S/C14H30NO2PS/c1-4-5-9-12-16-18(3,19)17-14(2)13-15-10-7-6-8-11-15/h14H,4-13H2,1-3H3/t14-,18+/m1/s1
InChIKeyIDZZVFSJNBGVHH-KDOFPFPSSA-N
MW307.44 g/mol
LogP4.02
Rot. Bonds9

About methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane

methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 11862385) has the molecular formula C14H30NO2PS and a molecular weight of 307.44 g/mol. Its IUPAC name is methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane
PubChem CID11862385
Molecular FormulaC14H30NO2PS
Molecular Weight307.44 g/mol
Exact Mass307.17
IUPAC Namemethyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCCCCO[P@](C)(=S)O[C@H](C)CN1CCCCC1
InChIInChI=1S/C14H30NO2PS/c1-4-5-9-12-16-18(3,19)17-14(2)13-15-10-7-6-8-11-15/h14H,4-13H2,1-3H3/t14-,18+/m1/s1
InChIKeyIDZZVFSJNBGVHH-KDOFPFPSSA-N
XLogP4.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-pentoxy-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane
CID 11862384
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(2-decoxyphenyl)carbamate
CID 102023040
1-piperidin-1-ylpropan-2-yl N-(2-hexoxyphenyl)carbamate;hydrochloride
CID 10250309
hexadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate
CID 23641768
hexoxy-propan-2-yloxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 151700635
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
[(2R)-1-piperidin-1-ylpropan-2-yl] N-(4-heptoxyphenyl)carbamate
CID 101362582
1-hexylpyrrolidine;propan-2-amine
CID 166169325
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195

Frequently Asked Questions

What is the IUPAC name of methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane (CID 11862385) is methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane is CCCCCO[P@](C)(=S)O[C@H](C)CN1CCCCC1.
What is the InChIKey of methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is IDZZVFSJNBGVHH-KDOFPFPSSA-N. The full InChI is InChI=1S/C14H30NO2PS/c1-4-5-9-12-16-18(3,19)17-14(2)13-15-10-7-6-8-11-15/h14H,4-13H2,1-3H3/t14-,18+/m1/s1.
What are the key properties of methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane?
methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 307.44 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-pentoxy-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11862385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).