1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea

C16H23N3S — CID 98760713

IUPAC1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=S)NC2CC2)C1
InChIInChI=1S/C16H23N3S/c1-12(13-5-3-2-4-6-13)19-10-9-15(11-19)18-16(20)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18,20)/t12-,15-/m1/s1
InChIKeyMGFRWBHIKBZNII-IUODEOHRSA-N
MW289.45 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea

1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea (PubChem CID 98760713) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
PubChem CID98760713
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=S)NC2CC2)C1
InChIInChI=1S/C16H23N3S/c1-12(13-5-3-2-4-6-13)19-10-9-15(11-19)18-16(20)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18,20)/t12-,15-/m1/s1
InChIKeyMGFRWBHIKBZNII-IUODEOHRSA-N
XLogP2.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
(3R)-N-ethyl-1-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 98177963
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea (CID 98760713) is 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea is C[C@H](c1ccccc1)N1CC[C@@H](NC(=S)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea?
The InChIKey is MGFRWBHIKBZNII-IUODEOHRSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(13-5-3-2-4-6-13)19-10-9-15(11-19)18-16(20)17-14-7-8-14/h2-6,12,14-15H,7-11H2,1H3,(H2,17,18,20)/t12-,15-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea?
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea has a molecular weight of 289.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea is sourced from PubChem (CID 98760713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).