1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine

C9H19NO2S2 — CID 59881949

IUPAC1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S2/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyAPTIADTYUFFULM-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.55
Rot. Bonds3

About 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine

1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine (PubChem CID 59881949) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine
PubChem CID59881949
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC Name1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine
SMILESCC(C)SC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S2/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyAPTIADTYUFFULM-UHFFFAOYSA-N
XLogP1.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine (CID 59881949) is 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine is CC(C)SC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine?
The InChIKey is APTIADTYUFFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine?
1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine has a molecular weight of 237.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propan-2-ylsulfanylpiperidine is sourced from PubChem (CID 59881949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).