N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide

C10H16F2N4O2S — CID 164634403

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]2CCNCC2(F)F)cn1
InChIInChI=1S/C10H16F2N4O2S/c1-16-6-9(5-14-16)19(17,18)15-4-8-2-3-13-7-10(8,11)12/h5-6,8,13,15H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAGIHHWJIDRIVPT-MRVPVSSYSA-N
MW294.33 g/mol
LogP-0.06
Rot. Bonds4

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 164634403) has the molecular formula C10H16F2N4O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID164634403
Molecular FormulaC10H16F2N4O2S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H]2CCNCC2(F)F)cn1
InChIInChI=1S/C10H16F2N4O2S/c1-16-6-9(5-14-16)19(17,18)15-4-8-2-3-13-7-10(8,11)12/h5-6,8,13,15H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyAGIHHWJIDRIVPT-MRVPVSSYSA-N
XLogP-0.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-ethylpyrazole-4-sulfonamide
CID 6466244
(3R*,4S*)-4-propyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 72874326
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
3-Ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 47034904
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
1-(1-Propan-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 71688427
methyl 4-[(1-methyl-1H-pyrazole-4-sulfonamido)methyl]piperidine-1-carboxylate
CID 71806813
Butyl[(1-ethylpyrazol-4-yl)sulfonyl]amine
CID 6466889
1-[[1-(1-Ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 50848240
N-(tert-butyl)-4-((1-methyl-1H-pyrazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806773
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806875

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide (CID 164634403) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@H]2CCNCC2(F)F)cn1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is AGIHHWJIDRIVPT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F2N4O2S/c1-16-6-9(5-14-16)19(17,18)15-4-8-2-3-13-7-10(8,11)12/h5-6,8,13,15H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 164634403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).