1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide

C10H18N2O2S — CID 155289205

IUPAC1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide
SMILESC[C@H](CS)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
InChIKeyOHKVCMUJTCAISN-SSDOTTSWSA-N
MW230.33 g/mol
LogP0.28
Rot. Bonds3

About 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide

1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 155289205) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID155289205
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide
SMILESC[C@H](CS)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1
InChIKeyOHKVCMUJTCAISN-SSDOTTSWSA-N
XLogP0.28
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.28
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 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide (CID 155289205) is 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide is C[C@H](CS)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is OHKVCMUJTCAISN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-7(6-15)10(14)12-4-2-8(3-5-12)9(11)13/h7-8,15H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1.
What are the key properties of 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide?
1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-3-sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 155289205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).