[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

C11H18Cl2N2S — CID 120842955

IUPAC[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1CC(CN)CN1Cc1ccsc1Cl.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-4-9(5-13)6-14(8)7-10-2-3-15-11(10)12;/h2-3,8-9H,4-7,13H2,1H3;1H
InChIKeyYKMXZRQOWFADRC-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.99
Rot. Bonds3

About [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120842955) has the molecular formula C11H18Cl2N2S and a molecular weight of 281.25 g/mol. Its IUPAC name is [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120842955
Molecular FormulaC11H18Cl2N2S
Molecular Weight281.25 g/mol
Exact Mass280.06
IUPAC Name[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1CC(CN)CN1Cc1ccsc1Cl.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-4-9(5-13)6-14(8)7-10-2-3-15-11(10)12;/h2-3,8-9H,4-7,13H2,1H3;1H
InChIKeyYKMXZRQOWFADRC-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486413
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 115486360
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120843071
(2R)-1-[(2-chlorothiophen-3-yl)methyl]-2-methylpiperazine;hydrochloride
CID 120839250
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
[1-[(2,6-difluoro-3-iodophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843011
[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486083
[5-methyl-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 115486068

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120842955) is [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1CC(CN)CN1Cc1ccsc1Cl.Cl.
What is the InChIKey of [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is YKMXZRQOWFADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S.ClH/c1-8-4-9(5-13)6-14(8)7-10-2-3-15-11(10)12;/h2-3,8-9H,4-7,13H2,1H3;1H.
What are the key properties of [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 281.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120842955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).