1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C10H16Cl2N2S — CID 120909269

IUPAC1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CC1N.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-7-3-13(5-10(7)12)4-9-2-8(11)6-14-9;/h2,6-7,10H,3-5,12H2,1H3;1H
InChIKeyLSVRETGULLYBFK-UHFFFAOYSA-N
MW267.22 g/mol
LogP2.60
Rot. Bonds2

About 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909269) has the molecular formula C10H16Cl2N2S and a molecular weight of 267.22 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909269
Molecular FormulaC10H16Cl2N2S
Molecular Weight267.22 g/mol
Exact Mass266.04
IUPAC Name1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CC1N.Cl
InChIInChI=1S/C10H15ClN2S.ClH/c1-7-3-13(5-10(7)12)4-9-2-8(11)6-14-9;/h2,6-7,10H,3-5,12H2,1H3;1H
InChIKeyLSVRETGULLYBFK-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909269) is 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2cc(Cl)cs2)CC1N.Cl.
What is the InChIKey of 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is LSVRETGULLYBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S.ClH/c1-7-3-13(5-10(7)12)4-9-2-8(11)6-14-9;/h2,6-7,10H,3-5,12H2,1H3;1H.
What are the key properties of 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 267.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).