piperidin-4-ylmethanesulfonamide

C6H14N2O2S — CID 21328013

IUPACpiperidin-4-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H2,7,9,10)
InChIKeyVJOBHUVDQKFYQC-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds2

About piperidin-4-ylmethanesulfonamide

piperidin-4-ylmethanesulfonamide (PubChem CID 21328013) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound Namepiperidin-4-ylmethanesulfonamide
PubChem CID21328013
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Namepiperidin-4-ylmethanesulfonamide
SMILESNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C6H14N2O2S/c7-11(9,10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H2,7,9,10)
InChIKeyVJOBHUVDQKFYQC-UHFFFAOYSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-4-ylmethyl)methanesulfonamide
CID 5095908
Piperidin-2-ylmethanesulfonamide
CID 61545411
Piperidine-3-sulfonamide
CID 24703810
2-(Piperidine-1-sulfonyl)ethan-1-amine
CID 208100
N-Methyl-4-piperidinesulfonamide
CID 52326748
(S)-Piperidine-3-sulfonamide
CID 28202542
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
2-(2-(Piperidin-4-yl)ethyl)-1lambda6,2-thiazolidine-1,1-dione hydrochloride
CID 20434917
N-methylpiperidine-3-sulfonamide
CID 24711203
rel-(3R)-piperidine-3-sulfonamide
CID 28202540
Piperidine-3-sulfonamide hydrochloride
CID 42946476
N-(Piperidin-4-ylmethyl)methanesulfonamide hydrochloride
CID 44630864

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethanesulfonamide?
The IUPAC name of piperidin-4-ylmethanesulfonamide (CID 21328013) is piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for piperidin-4-ylmethanesulfonamide?
The canonical SMILES for piperidin-4-ylmethanesulfonamide is NS(=O)(=O)CC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethanesulfonamide?
The InChIKey is VJOBHUVDQKFYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-11(9,10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H2,7,9,10).
What are the key properties of piperidin-4-ylmethanesulfonamide?
piperidin-4-ylmethanesulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 21328013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).