(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine

C14H20N2S — CID 114263379

IUPAC(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(C2CCSC2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2S/c15-14-9-16(12-6-7-17-10-12)8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12?,13-,14+/m0/s1
InChIKeyGPGRGNRAUFGVQM-KFTPUPIBSA-N
MW248.39 g/mol
LogP1.92
Rot. Bonds2

About (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine

(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine (PubChem CID 114263379) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine
PubChem CID114263379
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine
SMILESN[C@@H]1CN(C2CCSC2)C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2S/c15-14-9-16(12-6-7-17-10-12)8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12?,13-,14+/m0/s1
InChIKeyGPGRGNRAUFGVQM-KFTPUPIBSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(thian-4-yl)methanone
CID 120750026
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-cyclopropylpyrrolidin-2-one;hydrochloride
CID 120761134
(3R,4S)-1-(1,3-difluoropropan-2-yl)-4-phenylpyrrolidin-3-amine
CID 118128593
1-phenyl-4-[1-[(3S)-thiolan-3-yl]piperidin-4-yl]piperazine
CID 124841342
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3R,4R)-1-methyl-3-phenylpiperidin-4-amine
CID 96750295
2-(thiolan-3-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260873
(3R,4S)-1-cyclopentyl-4-(3-methoxyphenyl)pyrrolidin-3-amine;dihydrochloride
CID 154897459
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120760329
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 120761126
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine (CID 114263379) is (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine is N[C@@H]1CN(C2CCSC2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine?
The InChIKey is GPGRGNRAUFGVQM-KFTPUPIBSA-N. The full InChI is InChI=1S/C14H20N2S/c15-14-9-16(12-6-7-17-10-12)8-13(14)11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12?,13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(thiolan-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 114263379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).