(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine

C10H14ClNOS — CID 126985799

IUPAC(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccsc2Cl)O1
InChIInChI=1S/C10H14ClNOS/c1-6-2-3-8(13-6)9(12)7-4-5-14-10(7)11/h4-6,8-9H,2-3,12H2,1H3
InChIKeyLHSGBLUCJQRORL-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.97
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine

(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine (PubChem CID 126985799) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
PubChem CID126985799
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
SMILESCC1CCC(C(N)c2ccsc2Cl)O1
InChIInChI=1S/C10H14ClNOS/c1-6-2-3-8(13-6)9(12)7-4-5-14-10(7)11/h4-6,8-9H,2-3,12H2,1H3
InChIKeyLHSGBLUCJQRORL-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 81329828
(2,4-dichlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331291
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
[(3-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107362358
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(2-fluoro-4,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 81331181
(4-bromo-2,5-dimethoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105056520
(5-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methanamine
CID 81331050
(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
CID 130655294
1,3-dihydro-2-benzofuran-5-yl-(5-methyloxolan-2-yl)methanamine
CID 81329935
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine?
The IUPAC name of (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine (CID 126985799) is (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine?
The canonical SMILES for (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine is CC1CCC(C(N)c2ccsc2Cl)O1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine?
The InChIKey is LHSGBLUCJQRORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-6-2-3-8(13-6)9(12)7-4-5-14-10(7)11/h4-6,8-9H,2-3,12H2,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine?
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 126985799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).