methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane

C10H21NOS — CID 146940638

IUPACmethyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
SMILESC=S(C)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h9-10H,3,5-8H2,1-2,4H3
InChIKeyAGUMEGOOPJKFPP-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.62
Rot. Bonds2

About methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane

methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane (PubChem CID 146940638) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
PubChem CID146940638
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Namemethyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane
SMILESC=S(C)(=O)N1CCC(C(C)C)CC1
InChIInChI=1S/C10H21NOS/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h9-10H,3,5-8H2,1-2,4H3
InChIKeyAGUMEGOOPJKFPP-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methylsulfonyl-4-propan-2-ylpiperidine
CID 20712281
3,4-Dimethyl-1-methylsulfonylpiperidine
CID 21061709
[4,4-Di(propan-2-yl)piperidin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane
CID 57645476
3-Methyl-1-methylsulfonyl-4-propan-2-ylpiperidine
CID 58394575
(3R,4R)-3,4-dimethyl-1-methylsulfonylpiperidine
CID 58714674
(3S,4S)-3,4-dimethyl-1-methylsulfonylpiperidine
CID 58714705
1-Methylsulfonyl-3-propan-2-ylpiperidine
CID 58841022
1-Methylsulfinyl-4-propan-2-ylpiperidine
CID 59741068
3-Methyl-1-methylsulfinylpiperidine
CID 60004851
3-Ethyl-4-methyl-1-methylsulfonylpiperidine
CID 68350320
1-Methylsulfanyl-4-propan-2-ylpiperidine
CID 87199503
4-Methyl-1-methylsulfinylpiperidine
CID 89268296

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane?
The IUPAC name of methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane (CID 146940638) is methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane.
What is the SMILES notation for methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane?
The canonical SMILES for methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane is C=S(C)(=O)N1CCC(C(C)C)CC1.
What is the InChIKey of methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane?
The InChIKey is AGUMEGOOPJKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-9(2)10-5-7-11(8-6-10)13(3,4)12/h9-10H,3,5-8H2,1-2,4H3.
What are the key properties of methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane?
methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane has a molecular weight of 203.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-oxo-(4-propan-2-ylpiperidin-1-yl)-λ6-sulfane is sourced from PubChem (CID 146940638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).