N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine

C11H16ClNS — CID 107360721

IUPACN-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine
SMILESCC(NC1CC1)C(C)c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c1-7(8(2)13-9-3-4-9)11-10(12)5-6-14-11/h5-9,13H,3-4H2,1-2H3
InChIKeyGLFBECKRFMYBPW-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.65
Rot. Bonds4

About N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine

N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine (PubChem CID 107360721) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine
PubChem CID107360721
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine
SMILESCC(NC1CC1)C(C)c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c1-7(8(2)13-9-3-4-9)11-10(12)5-6-14-11/h5-9,13H,3-4H2,1-2H3
InChIKeyGLFBECKRFMYBPW-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
3-chloro-2-(1-chloro-2-cyclopropylpropyl)thiophene
CID 83148975
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83154901
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-(3-chlorothiophen-2-yl)-2-cyclopropylpropan-1-ol
CID 83148451
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107361240
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
[(3-chlorothiophen-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 107362061
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992
1-(3-chlorothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 107360141
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine?
The IUPAC name of N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine (CID 107360721) is N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine is CC(NC1CC1)C(C)c1sccc1Cl.
What is the InChIKey of N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine?
The InChIKey is GLFBECKRFMYBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-7(8(2)13-9-3-4-9)11-10(12)5-6-14-11/h5-9,13H,3-4H2,1-2H3.
What are the key properties of N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine?
N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine has a molecular weight of 229.78 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine is sourced from PubChem (CID 107360721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).