1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine

C11H16ClNS — CID 102976720

IUPAC1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C)CC1)c1csc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-8(9-5-10(12)14-6-9)13-7-11(2)3-4-11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyBCGBBPGPAWDGOS-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine

1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 102976720) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
PubChem CID102976720
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1(C)CC1)c1csc(Cl)c1
InChIInChI=1S/C11H16ClNS/c1-8(9-5-10(12)14-6-9)13-7-11(2)3-4-11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyBCGBBPGPAWDGOS-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
1-(5-chlorothiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 102976529
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
CID 102976419
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-hydroxypropanamide
CID 106170372
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine (CID 102976720) is 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine is CC(NCC1(C)CC1)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is BCGBBPGPAWDGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8(9-5-10(12)14-6-9)13-7-11(2)3-4-11/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 102976720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).