3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide

C14H22N2OS — CID 81408896

IUPAC3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccs2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-6-14(7-8-15-10-14)13(17)16-11(2)12-5-4-9-18-12/h4-5,9,11,15H,3,6-8,10H2,1-2H3,(H,16,17)/t11-,14?/m1/s1
InChIKeyCFIIRVMPWAPWRZ-YNODCEANSA-N
MW266.41 g/mol
LogP2.71
Rot. Bonds5

About 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide

3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide (PubChem CID 81408896) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
PubChem CID81408896
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N[C@H](C)c2cccs2)CCNC1
InChIInChI=1S/C14H22N2OS/c1-3-6-14(7-8-15-10-14)13(17)16-11(2)12-5-4-9-18-12/h4-5,9,11,15H,3,6-8,10H2,1-2H3,(H,16,17)/t11-,14?/m1/s1
InChIKeyCFIIRVMPWAPWRZ-YNODCEANSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 63130877
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
CID 67327801
N-[1-(2,4-difluorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 63139722
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63142538
4-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113310086
3-propyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139178
2-[(3-propylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 55166881
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide (CID 81408896) is 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide is CCCC1(C(=O)N[C@H](C)c2cccs2)CCNC1.
What is the InChIKey of 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
The InChIKey is CFIIRVMPWAPWRZ-YNODCEANSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-6-14(7-8-15-10-14)13(17)16-11(2)12-5-4-9-18-12/h4-5,9,11,15H,3,6-8,10H2,1-2H3,(H,16,17)/t11-,14?/m1/s1.
What are the key properties of 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide?
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81408896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).