1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

C9H14Cl2N2S — CID 119917354

IUPAC1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C9H13ClN2S.ClH/c10-9-2-1-8(13-9)6-12-4-3-7(11)5-12;/h1-2,7H,3-6,11H2;1H
InChIKeyVYPIUWYQLGUNBO-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.36
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride

1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119917354) has the molecular formula C9H14Cl2N2S and a molecular weight of 253.20 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119917354
Molecular FormulaC9H14Cl2N2S
Molecular Weight253.20 g/mol
Exact Mass252.03
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C9H13ClN2S.ClH/c10-9-2-1-8(13-9)6-12-4-3-7(11)5-12;/h1-2,7H,3-6,11H2;1H
InChIKeyVYPIUWYQLGUNBO-UHFFFAOYSA-N
XLogP2.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 77092531
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923162
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
(3S)-1-[(4-bromo-5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836308
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
8-[(5-chlorothiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232916
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
(3R,4R)-1-[(5-chlorothiophen-2-yl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 56853912
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119917354) is 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is VYPIUWYQLGUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S.ClH/c10-9-2-1-8(13-9)6-12-4-3-7(11)5-12;/h1-2,7H,3-6,11H2;1H.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride?
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 253.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119917354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).