(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine

C10H21NO2S — CID 177325459

IUPAC(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C(C)C)C[C@@H]1C
InChIInChI=1S/C10H21NO2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyYETRLHJUQUVIDD-AXDSSHIGSA-N
MW219.35 g/mol
LogP1.70
Rot. Bonds2

About (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine

(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine (PubChem CID 177325459) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
PubChem CID177325459
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
SMILESCC1CCN(S(=O)(=O)C(C)C)C[C@@H]1C
InChIInChI=1S/C10H21NO2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyYETRLHJUQUVIDD-AXDSSHIGSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine (CID 177325459) is (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine is CC1CCN(S(=O)(=O)C(C)C)C[C@@H]1C.
What is the InChIKey of (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine?
The InChIKey is YETRLHJUQUVIDD-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8(2)14(12,13)11-6-5-9(3)10(4)7-11/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine?
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine has a molecular weight of 219.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 177325459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).