N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide

C12H21N5O3S — CID 65359684

IUPACN-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-3-21(19,20)15-9-4-6-17(7-5-9)12(18)11-10(13)8-14-16(11)2/h8-9,15H,3-7,13H2,1-2H3
InChIKeyJUFXMFORNYKPOI-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.45
Rot. Bonds4

About N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide

N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 65359684) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
PubChem CID65359684
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-3-21(19,20)15-9-4-6-17(7-5-9)12(18)11-10(13)8-14-16(11)2/h8-9,15H,3-7,13H2,1-2H3
InChIKeyJUFXMFORNYKPOI-UHFFFAOYSA-N
XLogP-0.45
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 65359734
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210607
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide (CID 65359684) is N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2c(N)cnn2C)CC1.
What is the InChIKey of N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is JUFXMFORNYKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-21(19,20)15-9-4-6-17(7-5-9)12(18)11-10(13)8-14-16(11)2/h8-9,15H,3-7,13H2,1-2H3.
What are the key properties of N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 65359684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).