N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

C10H16Cl2N2S — CID 131047945

IUPACN-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1cscc1Cl)C1CCNC1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-13(9-2-3-12-4-9)5-8-6-14-7-10(8)11;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyFLVVBODDQBKZGA-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.62
Rot. Bonds3

About N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride

N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 131047945) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID131047945
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC NameN-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(Cc1cscc1Cl)C1CCNC1.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-13(9-2-3-12-4-9)5-8-6-14-7-10(8)11;/h6-7,9,12H,2-5H2,1H3;1H
InChIKeyFLVVBODDQBKZGA-UHFFFAOYSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 131047945) is N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(Cc1cscc1Cl)C1CCNC1.Cl.
What is the InChIKey of N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is FLVVBODDQBKZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-13(9-2-3-12-4-9)5-8-6-14-7-10(8)11;/h6-7,9,12H,2-5H2,1H3;1H.
What are the key properties of N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride?
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 267.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 131047945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).