(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide

C14H20N2O3S2 — CID 97226016

IUPAC(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide
SMILESC[C@H](c1cccs1)[S@](=O)CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C14H20N2O3S2/c1-10(12-5-3-7-20-12)21(19)9-13(17)16-6-2-4-11(8-16)14(15)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,18)/t10-,11+,21-/m1/s1
InChIKeyZPPCGPNZORLHOW-NNUHMIRASA-N
MW328.46 g/mol
LogP1.28
Rot. Bonds5

About (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide

(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide (PubChem CID 97226016) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide
PubChem CID97226016
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide
SMILESC[C@H](c1cccs1)[S@](=O)CC(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C14H20N2O3S2/c1-10(12-5-3-7-20-12)21(19)9-13(17)16-6-2-4-11(8-16)14(15)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,18)/t10-,11+,21-/m1/s1
InChIKeyZPPCGPNZORLHOW-NNUHMIRASA-N
XLogP1.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(2R)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxamide
CID 172908504
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]acetyl]piperidine-3-carboxamide
CID 134001299
(3S)-1-[(2S)-2-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576625
1-(2-amino-2-thiophen-2-ylacetyl)piperidine-3-carboxylic acid
CID 115286846
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
CID 94111233
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
N-propan-2-yl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 91953826
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate
CID 8632833
(3S)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51966873
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide (CID 97226016) is (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide is C[C@H](c1cccs1)[S@](=O)CC(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide?
The InChIKey is ZPPCGPNZORLHOW-NNUHMIRASA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-10(12-5-3-7-20-12)21(19)9-13(17)16-6-2-4-11(8-16)14(15)18/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H2,15,18)/t10-,11+,21-/m1/s1.
What are the key properties of (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide?
(3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(R)-[(1R)-1-thiophen-2-ylethyl]sulfinyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 97226016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).