2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide

C11H20N2O2S — CID 155289206

IUPAC2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide
SMILESC[C@H](CS)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
InChIKeyMLLZAZRBSAVWPR-MRVPVSSYSA-N
MW244.36 g/mol
LogP0.67
Rot. Bonds4

About 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide

2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide (PubChem CID 155289206) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide
PubChem CID155289206
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide
SMILESC[C@H](CS)C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1
InChIKeyMLLZAZRBSAVWPR-MRVPVSSYSA-N
XLogP0.67
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide (CID 155289206) is 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide is C[C@H](CS)C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide?
The InChIKey is MLLZAZRBSAVWPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide?
2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide has a molecular weight of 244.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 155289206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).