(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide

C11H16N2OS2 — CID 100702386

IUPAC(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESCS[C@H]1CCCN(C(=O)Nc2cccs2)C1
InChIInChI=1S/C11H16N2OS2/c1-15-9-4-2-6-13(8-9)11(14)12-10-5-3-7-16-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyCFFIBOUDFKZDPL-VIFPVBQESA-N
MW256.40 g/mol
LogP3.11
Rot. Bonds2

About (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide

(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 100702386) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID100702386
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide
SMILESCS[C@H]1CCCN(C(=O)Nc2cccs2)C1
InChIInChI=1S/C11H16N2OS2/c1-15-9-4-2-6-13(8-9)11(14)12-10-5-3-7-16-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1
InChIKeyCFFIBOUDFKZDPL-VIFPVBQESA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-methylsulfanyl-N-thiophen-2-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409722
2-methyl-N-thiophen-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 121185472
tert-butyl 4-(thiophen-2-ylcarbamoyl)piperazine-1-carboxylate
CID 108889284
N-(4-methyl-2-pyridinyl)-3-methylsulfanylazepane-1-carboxamide
CID 75503755
(3R)-3-(6-methoxypyridazin-3-yl)oxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100633412
4-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 97039658
(E)-1-(3-methylsulfanylpyrrolidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 72717820
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
(3R)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]-3-methylsulfanylazepane-1-carboxamide
CID 124591823
(3S)-N-(2-anilino-2-oxoethyl)-3-methylsulfanylazepane-1-carboxamide
CID 129380897
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide (CID 100702386) is (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide is CS[C@H]1CCCN(C(=O)Nc2cccs2)C1.
What is the InChIKey of (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is CFFIBOUDFKZDPL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-15-9-4-2-6-13(8-9)11(14)12-10-5-3-7-16-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide?
(3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 256.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylsulfanyl-N-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 100702386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).