phosphanyl-(1-sulfanylpiperidin-3-yl)methanone

C6H12NOPS — CID 145353930

IUPACphosphanyl-(1-sulfanylpiperidin-3-yl)methanone
SMILESO=C(P)C1CCCN(S)C1
InChIInChI=1S/C6H12NOPS/c8-6(9)5-2-1-3-7(10)4-5/h5,10H,1-4,9H2
InChIKeySVVOVLRGETUZEQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.94
Rot. Bonds1

About phosphanyl-(1-sulfanylpiperidin-3-yl)methanone

phosphanyl-(1-sulfanylpiperidin-3-yl)methanone (PubChem CID 145353930) has the molecular formula C6H12NOPS and a molecular weight of 177.21 g/mol. Its IUPAC name is phosphanyl-(1-sulfanylpiperidin-3-yl)methanone.

Molecular Properties

Compound Namephosphanyl-(1-sulfanylpiperidin-3-yl)methanone
PubChem CID145353930
Molecular FormulaC6H12NOPS
Molecular Weight177.21 g/mol
Exact Mass177.04
IUPAC Namephosphanyl-(1-sulfanylpiperidin-3-yl)methanone
SMILESO=C(P)C1CCCN(S)C1
InChIInChI=1S/C6H12NOPS/c8-6(9)5-2-1-3-7(10)4-5/h5,10H,1-4,9H2
InChIKeySVVOVLRGETUZEQ-UHFFFAOYSA-N
XLogP0.94
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-sulfanylpiperidine
CID 154686887
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
3-propan-2-yl-1-sulfanylpiperidine
CID 126691243
bis(carbamothioic S-acid);methane;1-sulfanylpiperidine
CID 173456524
CID 89024424
CID 89024424
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-(3-acetylpiperidin-1-yl)-2-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366373
1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-methanidylpiperidine-3-carboxamide
CID 23545608

Frequently Asked Questions

What is the IUPAC name of phosphanyl-(1-sulfanylpiperidin-3-yl)methanone?
The IUPAC name of phosphanyl-(1-sulfanylpiperidin-3-yl)methanone (CID 145353930) is phosphanyl-(1-sulfanylpiperidin-3-yl)methanone.
What is the SMILES notation for phosphanyl-(1-sulfanylpiperidin-3-yl)methanone?
The canonical SMILES for phosphanyl-(1-sulfanylpiperidin-3-yl)methanone is O=C(P)C1CCCN(S)C1.
What is the InChIKey of phosphanyl-(1-sulfanylpiperidin-3-yl)methanone?
The InChIKey is SVVOVLRGETUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NOPS/c8-6(9)5-2-1-3-7(10)4-5/h5,10H,1-4,9H2.
What are the key properties of phosphanyl-(1-sulfanylpiperidin-3-yl)methanone?
phosphanyl-(1-sulfanylpiperidin-3-yl)methanone has a molecular weight of 177.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl-(1-sulfanylpiperidin-3-yl)methanone is sourced from PubChem (CID 145353930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).