(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide

C14H15ClN2O2S2 — CID 95146622

IUPAC(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1sc2sccc2c1Cl
InChIInChI=1S/C14H15ClN2O2S2/c1-7-2-3-8(12(16)18)6-17(7)13(19)11-10(15)9-4-5-20-14(9)21-11/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)/t7-,8-/m0/s1
InChIKeyQIUUUCBNRXGIDD-YUMQZZPRSA-N
MW342.87 g/mol
LogP3.34
Rot. Bonds2

About (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide

(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95146622) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95146622
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1sc2sccc2c1Cl
InChIInChI=1S/C14H15ClN2O2S2/c1-7-2-3-8(12(16)18)6-17(7)13(19)11-10(15)9-4-5-20-14(9)21-11/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)/t7-,8-/m0/s1
InChIKeyQIUUUCBNRXGIDD-YUMQZZPRSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6R)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95146623
(3S,6R)-1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584966
(3S,6S)-1-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585455
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-6-methylpiperidine-3-carboxamide
CID 71882911
1-(2-amino-6-chlorobenzoyl)-6-methylpiperidine-3-carboxamide
CID 63659184
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 49023661
1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083668
1-(3-ethylthiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083600
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
(3R,6R)-1-[(Z)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 100841603

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95146622) is (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1sc2sccc2c1Cl.
What is the InChIKey of (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QIUUUCBNRXGIDD-YUMQZZPRSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c1-7-2-3-8(12(16)18)6-17(7)13(19)11-10(15)9-4-5-20-14(9)21-11/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)/t7-,8-/m0/s1.
What are the key properties of (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-(4-chlorothieno[2,3-b]thiophene-5-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95146622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).