3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine

C14H23NOS2 — CID 71861678

IUPAC3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCc2sccc2C)C1
InChIInChI=1S/C14H23NOS2/c1-3-18(16)13-6-4-5-12(9-13)15-10-14-11(2)7-8-17-14/h7-8,12-13,15H,3-6,9-10H2,1-2H3
InChIKeyPXHIJGJIGSDJGA-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.23
Rot. Bonds5

About 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine

3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 71861678) has the molecular formula C14H23NOS2 and a molecular weight of 285.48 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID71861678
Molecular FormulaC14H23NOS2
Molecular Weight285.48 g/mol
Exact Mass285.12
IUPAC Name3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCc2sccc2C)C1
InChIInChI=1S/C14H23NOS2/c1-3-18(16)13-6-4-5-12(9-13)15-10-14-11(2)7-8-17-14/h7-8,12-13,15H,3-6,9-10H2,1-2H3
InChIKeyPXHIJGJIGSDJGA-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 109438585
N-[(3-methylthiophen-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922527
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine
CID 75430700
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
CID 124856722
N-(3-ethylsulfinylcyclohexyl)-5-methylpyrimidin-2-amine
CID 133403997
2-methyl-N-[(3-methylthiophen-2-yl)methyl]cyclopropan-1-amine
CID 62397682
3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 167950992
(1R,2R,3S)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 7839003
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
(1S,2S,3R)-2,3-dimethyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 11923130

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 71861678) is 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine is CCS(=O)C1CCCC(NCc2sccc2C)C1.
What is the InChIKey of 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is PXHIJGJIGSDJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS2/c1-3-18(16)13-6-4-5-12(9-13)15-10-14-11(2)7-8-17-14/h7-8,12-13,15H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine?
3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 71861678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).