(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

C21H30N2OS — CID 124839965

IUPAC(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C21H30N2OS/c1-14(23-6-2-4-18(23)19-5-3-7-25-19)20(24)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h3,5,7,14-18H,2,4,6,8-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,18-,21?/m0/s1
InChIKeyIFZOUZDBWPENAB-UWAICQJNSA-N
MW358.55 g/mol
LogP4.36
Rot. Bonds4

About (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 124839965) has the molecular formula C21H30N2OS and a molecular weight of 358.55 g/mol. Its IUPAC name is (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID124839965
Molecular FormulaC21H30N2OS
Molecular Weight358.55 g/mol
Exact Mass358.21
IUPAC Name(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C21H30N2OS/c1-14(23-6-2-4-18(23)19-5-3-7-25-19)20(24)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h3,5,7,14-18H,2,4,6,8-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,18-,21?/m0/s1
InChIKeyIFZOUZDBWPENAB-UWAICQJNSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944117
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405
(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 25340767
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 124719171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 124839965) is (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is IFZOUZDBWPENAB-UWAICQJNSA-N. The full InChI is InChI=1S/C21H30N2OS/c1-14(23-6-2-4-18(23)19-5-3-7-25-19)20(24)22-21-11-15-8-16(12-21)10-17(9-15)13-21/h3,5,7,14-18H,2,4,6,8-13H2,1H3,(H,22,24)/t14-,15?,16?,17?,18-,21?/m0/s1.
What are the key properties of (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 358.55 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124839965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).