3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

C17H30N4OS — CID 25453302

IUPAC3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCSC[C@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyGMDSBMSRXJSGPW-AWEZNQCLSA-N
MW338.52 g/mol
LogP3.26
Rot. Bonds7

About 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 25453302) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID25453302
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCSC[C@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyGMDSBMSRXJSGPW-AWEZNQCLSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 25453302) is 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is CSC[C@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is GMDSBMSRXJSGPW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 338.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 25453302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).