N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide

C12H22N4O2S — CID 80688987

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCn1cc(CCNS(=O)(=O)CC2CCCCN2)cn1
InChIInChI=1S/C12H22N4O2S/c1-16-9-11(8-14-16)5-7-15-19(17,18)10-12-4-2-3-6-13-12/h8-9,12-13,15H,2-7,10H2,1H3
InChIKeyCIZMZBLKIAEVSS-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.02
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide (PubChem CID 80688987) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
PubChem CID80688987
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
SMILESCn1cc(CCNS(=O)(=O)CC2CCCCN2)cn1
InChIInChI=1S/C12H22N4O2S/c1-16-9-11(8-14-16)5-7-15-19(17,18)10-12-4-2-3-6-13-12/h8-9,12-13,15H,2-7,10H2,1H3
InChIKeyCIZMZBLKIAEVSS-UHFFFAOYSA-N
XLogP0.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 114135274
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
N-(1-methylpyrazol-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974228
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106049173

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide (CID 80688987) is N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide is Cn1cc(CCNS(=O)(=O)CC2CCCCN2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is CIZMZBLKIAEVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16-9-11(8-14-16)5-7-15-19(17,18)10-12-4-2-3-6-13-12/h8-9,12-13,15H,2-7,10H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 80688987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).