(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide

C11H24N2O2S — CID 67965082

IUPAC(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)[C@H]1CN(S(=O)(=O)N(C)C)CC[C@H]1C
InChIInChI=1S/C11H24N2O2S/c1-9(2)11-8-13(7-6-10(11)3)16(14,15)12(4)5/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyOJZMVCPJCOKNNE-GHMZBOCLSA-N
MW248.39 g/mol
LogP1.41
Rot. Bonds3

About (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide

(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 67965082) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide
PubChem CID67965082
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)[C@H]1CN(S(=O)(=O)N(C)C)CC[C@H]1C
InChIInChI=1S/C11H24N2O2S/c1-9(2)11-8-13(7-6-10(11)3)16(14,15)12(4)5/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeyOJZMVCPJCOKNNE-GHMZBOCLSA-N
XLogP1.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
4-[3-(Diethylamino)propyl]piperidine-1-sulfonamide
CID 75501813
(3S)-N-(2-cyanoethyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 93860563
3-Fluoro-4-propan-2-ylpiperidine-1-sulfonamide
CID 129064421
4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
CID 164933940
N,N,3-trimethylpiperidine-1-sulfonamide
CID 4627296
1-Methylsulfonyl-4-propan-2-ylpiperidine
CID 20712281
4-Methylpiperidine-1-sulfonamide
CID 20752928
4-Propan-2-ylpiperidine-1-sulfonamide
CID 20782491
3,4-Dimethyl-1-methylsulfonylpiperidine
CID 21061709
4-Propyl-1-piperidinesulfonyl chloride
CID 21255365
3,5-Dimethylpiperidine-1-sulfonamide
CID 43132027

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide (CID 67965082) is (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide is CC(C)[C@H]1CN(S(=O)(=O)N(C)C)CC[C@H]1C.
What is the InChIKey of (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is OJZMVCPJCOKNNE-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-9(2)11-8-13(7-6-10(11)3)16(14,15)12(4)5/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide?
(3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N,N,4-trimethyl-3-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 67965082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).