[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone

C13H25N3O3S — CID 103808772

IUPAC[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-11-20(18,19)16-9-7-15(8-10-16)13(17)12-5-3-4-6-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyOTSWXEOXSRGVOV-LBPRGKRZSA-N
MW303.43 g/mol
LogP0.01
Rot. Bonds4

About [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone

[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 103808772) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID103808772
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C13H25N3O3S/c1-2-11-20(18,19)16-9-7-15(8-10-16)13(17)12-5-3-4-6-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyOTSWXEOXSRGVOV-LBPRGKRZSA-N
XLogP0.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(2R)-piperidine-2-carbonyl]piperazine-1-sulfonamide
CID 103808750
[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119343283
ethyl 4-(azepane-2-carbonyl)piperazine-1-carboxylate
CID 64563459
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
N-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]butanamide
CID 103809389
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 119322028
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone (CID 103808772) is [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1.
What is the InChIKey of [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is OTSWXEOXSRGVOV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-2-11-20(18,19)16-9-7-15(8-10-16)13(17)12-5-3-4-6-14-12/h12,14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone?
[(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 303.43 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-piperidin-2-yl]-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 103808772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).