1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one

C14H20ClNOS — CID 43794657

IUPAC1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N(C)C1CCCCC1
InChIInChI=1S/C14H20ClNOS/c1-10(14(17)12-8-9-13(15)18-12)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyFXUDUUIAANDUQI-UHFFFAOYSA-N
MW285.84 g/mol
LogP4.24
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one

1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one (PubChem CID 43794657) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
PubChem CID43794657
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N(C)C1CCCCC1
InChIInChI=1S/C14H20ClNOS/c1-10(14(17)12-8-9-13(15)18-12)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyFXUDUUIAANDUQI-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[cyclopropylmethyl(propan-2-yl)amino]propan-1-one
CID 54999654
1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
CID 62140850
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
2-[cyclohexyl(methyl)amino]propanoic acid
CID 22906743
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
(2S)-2-[cyclopentyl(methyl)amino]propanoic acid;hydrochloride
CID 69352302
5-chloro-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 62277462

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one (CID 43794657) is 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one is CC(C(=O)c1ccc(Cl)s1)N(C)C1CCCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one?
The InChIKey is FXUDUUIAANDUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-10(14(17)12-8-9-13(15)18-12)16(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one?
1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one has a molecular weight of 285.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[cyclohexyl(methyl)amino]propan-1-one is sourced from PubChem (CID 43794657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).