N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine

C5H6ClNOS — CID 91603998

IUPACN-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
SMILESCN(O)c1ccc(Cl)s1
InChIInChI=1S/C5H6ClNOS/c1-7(8)5-3-2-4(6)9-5/h2-3,8H,1H3
InChIKeyJCZSPMKCAKOJIL-UHFFFAOYSA-N
MW163.63 g/mol
LogP2.23
Rot. Bonds1

About N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine

N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine (PubChem CID 91603998) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
PubChem CID91603998
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC NameN-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
SMILESCN(O)c1ccc(Cl)s1
InChIInChI=1S/C5H6ClNOS/c1-7(8)5-3-2-4(6)9-5/h2-3,8H,1H3
InChIKeyJCZSPMKCAKOJIL-UHFFFAOYSA-N
XLogP2.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-1-methylurea
CID 115192475
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
CID 117039872
N-(5-chlorothiophen-2-yl)-N-methylazetidin-3-amine
CID 117040547
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
2-amino-N-(5-chlorothiophen-2-yl)-3-hydroxy-N-methylpropanamide
CID 115179707
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222109
1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242816
4-N-(5-chlorothiophen-2-yl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265446
3-amino-4-[(5-chlorothiophen-2-yl)-methylamino]butanoic acid
CID 115241562
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine?
The IUPAC name of N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine (CID 91603998) is N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine is CN(O)c1ccc(Cl)s1.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine?
The InChIKey is JCZSPMKCAKOJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c1-7(8)5-3-2-4(6)9-5/h2-3,8H,1H3.
What are the key properties of N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine?
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine has a molecular weight of 163.63 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine is sourced from PubChem (CID 91603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).