1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine

C17H26N2S — CID 115677511

IUPAC1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NC3CCCSC3)C2)cc1
InChIInChI=1S/C17H26N2S/c1-2-5-15(6-3-1)8-10-19-11-9-16(13-19)18-17-7-4-12-20-14-17/h1-3,5-6,16-18H,4,7-14H2
InChIKeyDTPARKLWWSUHCH-UHFFFAOYSA-N
MW290.48 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine

1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine (PubChem CID 115677511) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine
PubChem CID115677511
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine
SMILESc1ccc(CCN2CCC(NC3CCCSC3)C2)cc1
InChIInChI=1S/C17H26N2S/c1-2-5-15(6-3-1)8-10-19-11-9-16(13-19)18-17-7-4-12-20-14-17/h1-3,5-6,16-18H,4,7-14H2
InChIKeyDTPARKLWWSUHCH-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 107165898
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
N-(1-benzylpyrrolidin-3-yl)-1-methylazepan-4-amine
CID 65070074
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine (CID 115677511) is 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine is c1ccc(CCN2CCC(NC3CCCSC3)C2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine?
The InChIKey is DTPARKLWWSUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-2-5-15(6-3-1)8-10-19-11-9-16(13-19)18-17-7-4-12-20-14-17/h1-3,5-6,16-18H,4,7-14H2.
What are the key properties of 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine?
1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine has a molecular weight of 290.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(thian-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115677511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).