1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid

C9H12ClNO4S — CID 19830112

IUPAC1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
SMILESCCC(N)c1ccc(Cl)s1.O=C(O)C(=O)O
InChIInChI=1S/C7H10ClNS.C2H2O4/c1-2-5(9)6-3-4-7(8)10-6;3-1(4)2(5)6/h3-5H,2,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyHAILVAJHBKNUQS-UHFFFAOYSA-N
MW265.72 g/mol
LogP1.97
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid

1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid (PubChem CID 19830112) has the molecular formula C9H12ClNO4S and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
PubChem CID19830112
Molecular FormulaC9H12ClNO4S
Molecular Weight265.72 g/mol
Exact Mass265.02
IUPAC Name1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
SMILESCCC(N)c1ccc(Cl)s1.O=C(O)C(=O)O
InChIInChI=1S/C7H10ClNS.C2H2O4/c1-2-5(9)6-3-4-7(8)10-6;3-1(4)2(5)6/h3-5H,2,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyHAILVAJHBKNUQS-UHFFFAOYSA-N
XLogP1.97
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
5-[(1S)-1-aminopropyl]thiophene-2-carboxylic acid
CID 55270481
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid?
The IUPAC name of 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid (CID 19830112) is 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid is CCC(N)c1ccc(Cl)s1.O=C(O)C(=O)O.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid?
The InChIKey is HAILVAJHBKNUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS.C2H2O4/c1-2-5(9)6-3-4-7(8)10-6;3-1(4)2(5)6/h3-5H,2,9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid?
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid has a molecular weight of 265.72 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid is sourced from PubChem (CID 19830112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).