(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine

C17H24N4OS — CID 96998564

IUPAC(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCc2cccs2)C1
InChIInChI=1S/C17H24N4OS/c1-20(12-16-18-19-17(22-16)13-4-5-13)14-6-8-21(11-14)9-7-15-3-2-10-23-15/h2-3,10,13-14H,4-9,11-12H2,1H3/t14-/m0/s1
InChIKeyGJOASZPFBCXTRU-AWEZNQCLSA-N
MW332.47 g/mol
LogP2.76
Rot. Bonds7

About (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine

(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine (PubChem CID 96998564) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
PubChem CID96998564
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCc2cccs2)C1
InChIInChI=1S/C17H24N4OS/c1-20(12-16-18-19-17(22-16)13-4-5-13)14-6-8-21(11-14)9-7-15-3-2-10-23-15/h2-3,10,13-14H,4-9,11-12H2,1H3/t14-/m0/s1
InChIKeyGJOASZPFBCXTRU-AWEZNQCLSA-N
XLogP2.76
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 71928239
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 97028097
N,N-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrrolidin-3-amine
CID 63167356
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-thiophen-2-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008824
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
3-ethyl-1-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 81459742
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 71928394
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine (CID 96998564) is (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(CCc2cccs2)C1.
What is the InChIKey of (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
The InChIKey is GJOASZPFBCXTRU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-20(12-16-18-19-17(22-16)13-4-5-13)14-6-8-21(11-14)9-7-15-3-2-10-23-15/h2-3,10,13-14H,4-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine?
(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine has a molecular weight of 332.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 96998564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).