(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine

C15H29N5O2S — CID 92634324

IUPAC(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
SMILESCc1nn(C)cc1CN1CCCC[C@H]1CCNS(=O)(=O)N(C)C
InChIInChI=1S/C15H29N5O2S/c1-13-14(11-19(4)17-13)12-20-10-6-5-7-15(20)8-9-16-23(21,22)18(2)3/h11,15-16H,5-10,12H2,1-4H3/t15-/m0/s1
InChIKeyIKBPGOAMEBSOGK-HNNXBMFYSA-N
MW343.50 g/mol
LogP0.87
Rot. Bonds7

About (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine

(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine (PubChem CID 92634324) has the molecular formula C15H29N5O2S and a molecular weight of 343.50 g/mol. Its IUPAC name is (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
PubChem CID92634324
Molecular FormulaC15H29N5O2S
Molecular Weight343.50 g/mol
Exact Mass343.20
IUPAC Name(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
SMILESCc1nn(C)cc1CN1CCCC[C@H]1CCNS(=O)(=O)N(C)C
InChIInChI=1S/C15H29N5O2S/c1-13-14(11-19(4)17-13)12-20-10-6-5-7-15(20)8-9-16-23(21,22)18(2)3/h11,15-16H,5-10,12H2,1-4H3/t15-/m0/s1
InChIKeyIKBPGOAMEBSOGK-HNNXBMFYSA-N
XLogP0.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 110247050
[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 83089134
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)azepane
CID 92878035
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine
CID 92634262
(2S)-2-[2-(dimethylsulfamoylamino)ethyl]-1-(1-ethylpyrazole-3-carbonyl)piperidine
CID 92634248
4-[2-[(2S)-2-[2-(dimethylsulfamoylamino)ethyl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1,3-thiazole
CID 92634264
N-[2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 71989111
(2S)-2-(4-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]azepane
CID 92878029
[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]azepan-2-yl]methanol
CID 126834158
(2R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylthiophen-2-yl)azepane
CID 92878033
N-[2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 47280772
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The IUPAC name of (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine (CID 92634324) is (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine.
What is the SMILES notation for (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The canonical SMILES for (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine is Cc1nn(C)cc1CN1CCCC[C@H]1CCNS(=O)(=O)N(C)C.
What is the InChIKey of (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The InChIKey is IKBPGOAMEBSOGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H29N5O2S/c1-13-14(11-19(4)17-13)12-20-10-6-5-7-15(20)8-9-16-23(21,22)18(2)3/h11,15-16H,5-10,12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine?
(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine has a molecular weight of 343.50 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(dimethylsulfamoylamino)ethyl]piperidine is sourced from PubChem (CID 92634324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).