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

C10H14ClNOS — CID 114825332

IUPAC(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(C(N)c2sccc2Cl)CO1
InChIInChI=1S/C10H14ClNOS/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7,9H,4-5,12H2,1H3
InChIKeyVDNLWTYFTYJUPA-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.83
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine (PubChem CID 114825332) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
PubChem CID114825332
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(C(N)c2sccc2Cl)CO1
InChIInChI=1S/C10H14ClNOS/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7,9H,4-5,12H2,1H3
InChIKeyVDNLWTYFTYJUPA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926
(5-methyloxolan-3-yl)-thiophen-3-ylmethanamine
CID 104988595
(R)-(3-chlorothiophen-2-yl)-(oxan-4-yl)methanamine;hydrochloride
CID 171247432
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
(2-chlorothiophen-3-yl)-(5-methyloxolan-3-yl)methanol
CID 130655294
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
(7-bromo-1-benzothiophen-3-yl)-(5-methyloxolan-3-yl)methanamine
CID 114825350
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
(4-chlorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826660
(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 80529802
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine (CID 114825332) is (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine is CC1CC(C(N)c2sccc2Cl)CO1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine?
The InChIKey is VDNLWTYFTYJUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-6-4-7(5-13-6)9(12)10-8(11)2-3-14-10/h2-3,6-7,9H,4-5,12H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine?
(3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine has a molecular weight of 231.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 114825332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).