1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol

C10H14ClNOS — CID 103728690

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C10H14ClNOS/c1-10(13)4-5-12(7-10)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3
InChIKeyXHOZWVNNGBBBII-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.36
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol

1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103728690) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID103728690
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C10H14ClNOS/c1-10(13)4-5-12(7-10)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3
InChIKeyXHOZWVNNGBBBII-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728565
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103358731
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 103728480
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
[1-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72888469
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108637
3-[(5-chlorothiophen-2-yl)methyl]-1-methylpyrrolidin-3-ol
CID 65146833
1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728462
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155495510
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol (CID 103728690) is 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is XHOZWVNNGBBBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(13)4-5-12(7-10)6-8-2-3-9(11)14-8/h2-3,13H,4-7H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol?
1-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 231.75 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]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).