(5-chlorothiophen-2-yl)-methoxymethanamine

C6H8ClNOS — CID 116947254

IUPAC(5-chlorothiophen-2-yl)-methoxymethanamine
SMILESCOC(N)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-6(8)4-2-3-5(7)10-4/h2-3,6H,8H2,1H3
InChIKeySGGAGVFAHVWETL-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.01
Rot. Bonds2

About (5-chlorothiophen-2-yl)-methoxymethanamine

(5-chlorothiophen-2-yl)-methoxymethanamine (PubChem CID 116947254) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-methoxymethanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-methoxymethanamine
PubChem CID116947254
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name(5-chlorothiophen-2-yl)-methoxymethanamine
SMILESCOC(N)c1ccc(Cl)s1
InChIInChI=1S/C6H8ClNOS/c1-9-6(8)4-2-3-5(7)10-4/h2-3,6H,8H2,1H3
InChIKeySGGAGVFAHVWETL-UHFFFAOYSA-N
XLogP2.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 116718662
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 166678249
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
(5-chlorothiophen-2-yl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031917

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-methoxymethanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-methoxymethanamine (CID 116947254) is (5-chlorothiophen-2-yl)-methoxymethanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-methoxymethanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-methoxymethanamine is COC(N)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-methoxymethanamine?
The InChIKey is SGGAGVFAHVWETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-9-6(8)4-2-3-5(7)10-4/h2-3,6H,8H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-methoxymethanamine?
(5-chlorothiophen-2-yl)-methoxymethanamine has a molecular weight of 177.66 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-methoxymethanamine is sourced from PubChem (CID 116947254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).