[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine

C11H20N4O2S — CID 28706883

IUPAC[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-10(7-12)4-6-15/h10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNTZGCGIKESVNRG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.39
Rot. Bonds3

About [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine

[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine (PubChem CID 28706883) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
PubChem CID28706883
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-10(7-12)4-6-15/h10H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNTZGCGIKESVNRG-UHFFFAOYSA-N
XLogP0.39
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine (CID 28706883) is [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
The InChIKey is NTZGCGIKESVNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)18(16,17)15-5-3-10(7-12)4-6-15/h10H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine?
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine has a molecular weight of 272.37 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 28706883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).