(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide

C12H20N4O2S — CID 166315046

IUPAC(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(Cc2n[nH]c3c2CCC3)C1
InChIInChI=1S/C12H20N4O2S/c13-19(17,18)9-3-2-6-16(7-9)8-12-10-4-1-5-11(10)14-15-12/h9H,1-8H2,(H,14,15)(H2,13,17,18)/t9-/m0/s1
InChIKeyVVMFWTSKJVFOQP-VIFPVBQESA-N
MW284.39 g/mol
LogP0.15
Rot. Bonds3

About (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide

(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide (PubChem CID 166315046) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
PubChem CID166315046
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCCN(Cc2n[nH]c3c2CCC3)C1
InChIInChI=1S/C12H20N4O2S/c13-19(17,18)9-3-2-6-16(7-9)8-12-10-4-1-5-11(10)14-15-12/h9H,1-8H2,(H,14,15)(H2,13,17,18)/t9-/m0/s1
InChIKeyVVMFWTSKJVFOQP-VIFPVBQESA-N
XLogP0.15
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide (CID 166315046) is (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCCN(Cc2n[nH]c3c2CCC3)C1.
What is the InChIKey of (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide?
The InChIKey is VVMFWTSKJVFOQP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N4O2S/c13-19(17,18)9-3-2-6-16(7-9)8-12-10-4-1-5-11(10)14-15-12/h9H,1-8H2,(H,14,15)(H2,13,17,18)/t9-/m0/s1.
What are the key properties of (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide?
(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide has a molecular weight of 284.39 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide is sourced from PubChem (CID 166315046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).