N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide

C11H14N2OS — CID 79688551

IUPACN-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N[C@H]1CCNC1
InChIInChI=1S/C11H14N2OS/c14-11(13-9-5-6-12-8-9)4-3-10-2-1-7-15-10/h1-4,7,9,12H,5-6,8H2,(H,13,14)/t9-/m0/s1
InChIKeySNARWELMNLFGLD-VIFPVBQESA-N
MW222.31 g/mol
LogP1.24
Rot. Bonds3

About N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide

N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 79688551) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID79688551
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N[C@H]1CCNC1
InChIInChI=1S/C11H14N2OS/c14-11(13-9-5-6-12-8-9)4-3-10-2-1-7-15-10/h1-4,7,9,12H,5-6,8H2,(H,13,14)/t9-/m0/s1
InChIKeySNARWELMNLFGLD-VIFPVBQESA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
CID 113394904
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
N-(3-piperidin-4-yloxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 77009043
N-[2-(cyclopropylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 76948189
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095
(E)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 99696678
(E)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 43602226
N-(piperidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 76922768
(E)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 51090453

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide (CID 79688551) is N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)N[C@H]1CCNC1.
What is the InChIKey of N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SNARWELMNLFGLD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-9-5-6-12-8-9)4-3-10-2-1-7-15-10/h1-4,7,9,12H,5-6,8H2,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide?
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 222.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 79688551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).