N-tert-butyl-2-piperidin-3-ylethanesulfonamide

C11H24N2O2S — CID 115046359

IUPACN-tert-butyl-2-piperidin-3-ylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCC1CCCNC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)13-16(14,15)8-6-10-5-4-7-12-9-10/h10,12-13H,4-9H2,1-3H3
InChIKeyNVPGKZUNJJVLDQ-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds4

About N-tert-butyl-2-piperidin-3-ylethanesulfonamide

N-tert-butyl-2-piperidin-3-ylethanesulfonamide (PubChem CID 115046359) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-tert-butyl-2-piperidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-piperidin-3-ylethanesulfonamide
PubChem CID115046359
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-tert-butyl-2-piperidin-3-ylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCC1CCCNC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)13-16(14,15)8-6-10-5-4-7-12-9-10/h10,12-13H,4-9H2,1-3H3
InChIKeyNVPGKZUNJJVLDQ-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-ylethanesulfonyl fluoride
CID 146049276
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide
CID 60895183
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
N-(2-piperidin-3-ylethyl)propane-1-sulfonamide;hydrochloride
CID 119979578
2-(methanesulfonamido)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119558362
2-methylsulfonyl-N-(2-piperidin-3-ylethyl)ethanesulfonamide
CID 63245397
3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
CID 106726931
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
3-(2,2-dimethylpropyl)piperidine
CID 21041533
N-(2-piperidin-3-ylethyl)but-3-ene-1-sulfonamide
CID 119979538
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-piperidin-3-ylethanesulfonamide?
The IUPAC name of N-tert-butyl-2-piperidin-3-ylethanesulfonamide (CID 115046359) is N-tert-butyl-2-piperidin-3-ylethanesulfonamide.
What is the SMILES notation for N-tert-butyl-2-piperidin-3-ylethanesulfonamide?
The canonical SMILES for N-tert-butyl-2-piperidin-3-ylethanesulfonamide is CC(C)(C)NS(=O)(=O)CCC1CCCNC1.
What is the InChIKey of N-tert-butyl-2-piperidin-3-ylethanesulfonamide?
The InChIKey is NVPGKZUNJJVLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)13-16(14,15)8-6-10-5-4-7-12-9-10/h10,12-13H,4-9H2,1-3H3.
What are the key properties of N-tert-butyl-2-piperidin-3-ylethanesulfonamide?
N-tert-butyl-2-piperidin-3-ylethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-piperidin-3-ylethanesulfonamide is sourced from PubChem (CID 115046359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).