(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine

C8H10ClNS — CID 166678249

IUPAC(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)[C@@H](N)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-4,8H,1,10H2,2H3/t8-/m1/s1
InChIKeySQCHJDOYTINOFC-MRVPVSSYSA-N
MW187.69 g/mol
LogP2.98
Rot. Bonds2

About (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine

(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 166678249) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
PubChem CID166678249
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
SMILESC=C(C)[C@@H](N)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-4,8H,1,10H2,2H3/t8-/m1/s1
InChIKeySQCHJDOYTINOFC-MRVPVSSYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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)-N,2-dimethylprop-2-en-1-amine
CID 105005210
2-amino-2-(5-chlorothiophen-2-yl)-N-methylacetamide
CID 116850381
2-amino-2-(5-chlorothiophen-2-yl)-N',N'-dimethylacetohydrazide
CID 116849788
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
2-amino-5-(5-chlorothiophen-2-yl)hexan-3-ol
CID 83934933
(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine (CID 166678249) is (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine is C=C(C)[C@@H](N)c1ccc(Cl)s1.
What is the InChIKey of (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is SQCHJDOYTINOFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-5(2)8(10)6-3-4-7(9)11-6/h3-4,8H,1,10H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine?
(1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 187.69 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 166678249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).