[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C11H17ClN2S — CID 120846916

IUPAC[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2S/c1-11(7-13)2-3-14(8-11)5-10-4-9(12)6-15-10/h4,6H,2-3,5,7-8,13H2,1H3
InChIKeyYZQSKPUNNXNWHW-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.57
Rot. Bonds3

About [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120846916) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120846916
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2cc(Cl)cs2)C1
InChIInChI=1S/C11H17ClN2S/c1-11(7-13)2-3-14(8-11)5-10-4-9(12)6-15-10/h4,6H,2-3,5,7-8,13H2,1H3
InChIKeyYZQSKPUNNXNWHW-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
2-[(4-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906918
6-[(4-chlorothiophen-2-yl)methyl]-2-ethoxy-6-azaspiro[3.4]octane
CID 126807039
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309
[1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771340
[1-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772608

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120846916) is [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2cc(Cl)cs2)C1.
What is the InChIKey of [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is YZQSKPUNNXNWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-11(7-13)2-3-14(8-11)5-10-4-9(12)6-15-10/h4,6H,2-3,5,7-8,13H2,1H3.
What are the key properties of [1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(4-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 244.79 g/mol, XLogP of 2.57, 3 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]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120846916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).