4-methyl-4-propan-2-ylpiperidine-1-sulfonamide

C9H20N2O2S — CID 59291693

IUPAC4-methyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1(C)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)9(3)4-6-11(7-5-9)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyKJNXBRZWAGZFQD-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.95
Rot. Bonds2

About 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide

4-methyl-4-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 59291693) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-4-propan-2-ylpiperidine-1-sulfonamide
PubChem CID59291693
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-methyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1(C)CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)9(3)4-6-11(7-5-9)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13)
InChIKeyKJNXBRZWAGZFQD-UHFFFAOYSA-N
XLogP0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
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
3-Fluoro-4-propan-2-ylpiperidine-1-sulfonamide
CID 129064421
4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
CID 164933940
4-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-1-sulfonamide
CID 75438706
N,N,3-trimethylpiperidine-1-sulfonamide
CID 4627296
4-Tert-butyl-1-tert-butylsulfonylpiperidine
CID 20657894
4-Methylpiperidine-1-sulfonamide
CID 20752928
4-Propan-2-ylpiperidine-1-sulfonamide
CID 20782491
N-(4-tert-butylpiperidin-1-yl)sulfamoyl chloride
CID 22326594
3,5-Dimethylpiperidine-1-sulfonamide
CID 43132027
3-Methylpiperidine-1-sulfonamide
CID 43210841

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide (CID 59291693) is 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide is CC(C)C1(C)CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is KJNXBRZWAGZFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)9(3)4-6-11(7-5-9)14(10,12)13/h8H,4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
4-methyl-4-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 59291693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).