N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride

C15H25ClN2S — CID 119921375

IUPACN-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(CCSc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-2-10-17(14-8-9-16-13-14)11-12-18-15-6-4-3-5-7-15;/h3-7,14,16H,2,8-13H2,1H3;1H
InChIKeyPYUJVQGWHYIICY-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.27
Rot. Bonds7

About N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride

N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921375) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921375
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(CCSc1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C15H24N2S.ClH/c1-2-10-17(14-8-9-16-13-14)11-12-18-15-6-4-3-5-7-15;/h3-7,14,16H,2,8-13H2,1H3;1H
InChIKeyPYUJVQGWHYIICY-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921375) is N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(CCSc1ccccc1)C1CCNC1.Cl.
What is the InChIKey of N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is PYUJVQGWHYIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S.ClH/c1-2-10-17(14-8-9-16-13-14)11-12-18-15-6-4-3-5-7-15;/h3-7,14,16H,2,8-13H2,1H3;1H.
What are the key properties of N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride?
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride has a molecular weight of 300.90 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).