N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide

C12H26N2O2S — CID 149266881

IUPACN-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)11-6-8-14(9-7-11)17(15,16)13-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyXQHUJOAGQDXZTA-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.99
Rot. Bonds3

About N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide

N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 149266881) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide
PubChem CID149266881
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(=O)(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O2S/c1-10(2)11-6-8-14(9-7-11)17(15,16)13-12(3,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyXQHUJOAGQDXZTA-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide (CID 149266881) is N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide is CC(C)C1CCN(S(=O)(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is XQHUJOAGQDXZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-10(2)11-6-8-14(9-7-11)17(15,16)13-12(3,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide?
N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 149266881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).