(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride

C13H17ClN2S — CID 119905365

IUPAC(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C13H16N2S.ClH/c14-11-5-6-15(8-11)7-10-9-16-13-4-2-1-3-12(10)13;/h1-4,9,11H,5-8,14H2;1H/t11-;/m1./s1
InChIKeyKUIKFGWHIRKSFZ-RFVHGSKJSA-N
MW268.81 g/mol
LogP2.86
Rot. Bonds2

About (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 119905365) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
PubChem CID119905365
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2csc3ccccc23)C1
InChIInChI=1S/C13H16N2S.ClH/c14-11-5-6-15(8-11)7-10-9-16-13-4-2-1-3-12(10)13;/h1-4,9,11H,5-8,14H2;1H/t11-;/m1./s1
InChIKeyKUIKFGWHIRKSFZ-RFVHGSKJSA-N
XLogP2.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)-3-(2-chloroethyl)pyrrolidine
CID 114800517
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925714
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
(1S)-1-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]ethanamine
CID 129369862
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
2-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]acetic acid
CID 63738099
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride (CID 119905365) is (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(Cc2csc3ccccc23)C1.
What is the InChIKey of (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is KUIKFGWHIRKSFZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c14-11-5-6-15(8-11)7-10-9-16-13-4-2-1-3-12(10)13;/h1-4,9,11H,5-8,14H2;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).