N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide

C8H14N4O2S — CID 102693697

IUPACN-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccn[nH]1
InChIInChI=1S/C8H14N4O2S/c13-15(14,8-3-5-10-11-8)12-7-2-1-4-9-6-7/h3,5,7,9,12H,1-2,4,6H2,(H,10,11)/t7-/m0/s1
InChIKeyMBRNWADPEYVDLZ-ZETCQYMHSA-N
MW230.29 g/mol
LogP-0.56
Rot. Bonds3

About N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide

N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693697) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
PubChem CID102693697
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccn[nH]1
InChIInChI=1S/C8H14N4O2S/c13-15(14,8-3-5-10-11-8)12-7-2-1-4-9-6-7/h3,5,7,9,12H,1-2,4,6H2,(H,10,11)/t7-/m0/s1
InChIKeyMBRNWADPEYVDLZ-ZETCQYMHSA-N
XLogP-0.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
3-chloro-N-piperidin-3-ylpyridine-2-sulfonamide
CID 71639797
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723758
6-methyl-N-piperidin-3-ylpyridazine-3-sulfonamide
CID 71638755
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide (CID 102693697) is N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide is O=S(=O)(N[C@H]1CCCNC1)c1ccn[nH]1.
What is the InChIKey of N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
The InChIKey is MBRNWADPEYVDLZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O2S/c13-15(14,8-3-5-10-11-8)12-7-2-1-4-9-6-7/h3,5,7,9,12H,1-2,4,6H2,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide?
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).