3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

C12H18N2OS — CID 103866507

IUPAC3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c1-2-9-5-7-16-11(9)12(15)14-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyDRGATBDGFITXSH-JTQLQIEISA-N
MW238.36 g/mol
LogP1.79
Rot. Bonds3

About 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide

3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 103866507) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
PubChem CID103866507
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C12H18N2OS/c1-2-9-5-7-16-11(9)12(15)14-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyDRGATBDGFITXSH-JTQLQIEISA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
CID 119429304
N-[(3S)-piperidin-3-yl]thieno[3,2-b]thiophene-5-carboxamide
CID 103866540
N-piperidin-3-yl-1-benzothiophene-5-carboxamide
CID 119426134
3-ethyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-2-carboxamide
CID 95765636
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
N-(azepan-3-yl)-2-ethylfuran-3-carboxamide
CID 114103336
2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide (CID 103866507) is 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is CCc1ccsc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is DRGATBDGFITXSH-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-9-5-7-16-11(9)12(15)14-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide?
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103866507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).