trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine

C16H27NOS2 — CID 124856722

IUPACtrans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
SMILESCC[C@H](Cc1cccs1)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1
InChIInChI=1S/C16H27NOS2/c1-3-13(11-15-8-6-10-19-15)17-14-7-5-9-16(12-14)20(18)4-2/h6,8,10,13-14,16-17H,3-5,7,9,11-12H2,1-2H3/t13-,14-,16-,20-/m1/s1
InChIKeyQKFLPTYSNMBLRL-NOAAKOMESA-N
MW313.53 g/mol
LogP3.74
Rot. Bonds7

About trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine

trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine (PubChem CID 124856722) has the molecular formula C16H27NOS2 and a molecular weight of 313.53 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
PubChem CID124856722
Molecular FormulaC16H27NOS2
Molecular Weight313.53 g/mol
Exact Mass313.15
IUPAC Nametrans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
SMILESCC[C@H](Cc1cccs1)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1
InChIInChI=1S/C16H27NOS2/c1-3-13(11-15-8-6-10-19-15)17-14-7-5-9-16(12-14)20(18)4-2/h6,8,10,13-14,16-17H,3-5,7,9,11-12H2,1-2H3/t13-,14-,16-,20-/m1/s1
InChIKeyQKFLPTYSNMBLRL-NOAAKOMESA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(1-thiophen-2-ylbutan-2-ylamino)cyclopentan-1-ol
CID 115891358
2-methyl-N-(1-thiophen-2-ylbutan-2-yl)cyclopentan-1-amine
CID 115889479
3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 75428576
3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 71861678
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693
1-(3-ethylsulfinylcyclohexyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110057075
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 109438413
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine (CID 124856722) is trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine is CC[C@H](Cc1cccs1)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1.
What is the InChIKey of trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine?
The InChIKey is QKFLPTYSNMBLRL-NOAAKOMESA-N. The full InChI is InChI=1S/C16H27NOS2/c1-3-13(11-15-8-6-10-19-15)17-14-7-5-9-16(12-14)20(18)4-2/h6,8,10,13-14,16-17H,3-5,7,9,11-12H2,1-2H3/t13-,14-,16-,20-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine?
trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine has a molecular weight of 313.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 124856722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).