1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine

C11H16ClNS — CID 83154901

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1sccc1Cl)C(C)C1CC1
InChIInChI=1S/C11H16ClNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyOTWGKSJOYPHFJR-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine (PubChem CID 83154901) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
PubChem CID83154901
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(c1sccc1Cl)C(C)C1CC1
InChIInChI=1S/C11H16ClNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyOTWGKSJOYPHFJR-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine (CID 83154901) is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine is CNC(c1sccc1Cl)C(C)C1CC1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is OTWGKSJOYPHFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-7(8-3-4-8)10(13-2)11-9(12)5-6-14-11/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine?
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 83154901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).