N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide

C12H16N6O2S — CID 61275954

IUPACN-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1cn[nH]c1
InChIInChI=1S/C12H16N6O2S/c19-21(20,11-7-15-16-8-11)17-10-3-1-6-18(9-10)12-13-4-2-5-14-12/h2,4-5,7-8,10,17H,1,3,6,9H2,(H,15,16)
InChIKeyILWCNNVLEUPAQI-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.15
Rot. Bonds4

About N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide

N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61275954) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61275954
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1cn[nH]c1
InChIInChI=1S/C12H16N6O2S/c19-21(20,11-7-15-16-8-11)17-10-3-1-6-18(9-10)12-13-4-2-5-14-12/h2,4-5,7-8,10,17H,1,3,6,9H2,(H,15,16)
InChIKeyILWCNNVLEUPAQI-UHFFFAOYSA-N
XLogP0.15
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 131904796
3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
3-(1H-pyrazol-4-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63044386
2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
CID 43715625
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide
CID 55914805
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
N-(2-bromocyclohexyl)-1H-pyrazole-4-sulfonamide
CID 114297358

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide (CID 61275954) is N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NC1CCCN(c2ncccn2)C1)c1cn[nH]c1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ILWCNNVLEUPAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c19-21(20,11-7-15-16-8-11)17-10-3-1-6-18(9-10)12-13-4-2-5-14-12/h2,4-5,7-8,10,17H,1,3,6,9H2,(H,15,16).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 308.37 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).