(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine

C11H23NO4S2 — CID 95344705

IUPAC(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO4S2/c1-3-11-7-4-5-8-12(11)18(15,16)10-6-9-17(2,13)14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyMOKVKCCAOHGTLV-NSHDSACASA-N
MW297.44 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine

(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine (PubChem CID 95344705) has the molecular formula C11H23NO4S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine.

Molecular Properties

Compound Name(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine
PubChem CID95344705
Molecular FormulaC11H23NO4S2
Molecular Weight297.44 g/mol
Exact Mass297.11
IUPAC Name(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C11H23NO4S2/c1-3-11-7-4-5-8-12(11)18(15,16)10-6-9-17(2,13)14/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyMOKVKCCAOHGTLV-NSHDSACASA-N
XLogP1.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine?
The IUPAC name of (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine (CID 95344705) is (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine.
What is the SMILES notation for (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine?
The canonical SMILES for (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine is CC[C@H]1CCCCN1S(=O)(=O)CCCS(C)(=O)=O.
What is the InChIKey of (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine?
The InChIKey is MOKVKCCAOHGTLV-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO4S2/c1-3-11-7-4-5-8-12(11)18(15,16)10-6-9-17(2,13)14/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine?
(2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine has a molecular weight of 297.44 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-(3-methylsulfonylpropylsulfonyl)piperidine is sourced from PubChem (CID 95344705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).