trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine

C14H23NO2S2 — CID 129424855

IUPACtrans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine
SMILESC[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-11(13-7-5-9-18-13)10-15-12-6-3-4-8-14(12)19(2,16)17/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyXDETVPHNFOHWHT-YRGRVCCFSA-N
MW301.48 g/mol
LogP2.80
Rot. Bonds5

About trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine

trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine (PubChem CID 129424855) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine
PubChem CID129424855
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Nametrans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine
SMILESC[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-11(13-7-5-9-18-13)10-15-12-6-3-4-8-14(12)19(2,16)17/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyXDETVPHNFOHWHT-YRGRVCCFSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80526208
N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
1-(4-methylphenyl)-2-[[(1R,2R)-2-methylsulfonylcyclohexyl]amino]ethanol
CID 167775469
2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
CID 81339661
N-(2-thiophen-2-ylpropyl)thiolan-3-amine
CID 115722114
1-propan-2-yl-N-(2-thiophen-2-ylpropyl)piperidin-4-amine
CID 75428213
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
3-(2-thiophen-2-ylpropylamino)propane-1-sulfonic acid
CID 87816922

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine (CID 129424855) is trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine is C[C@H](CN[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cccs1.
What is the InChIKey of trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine?
The InChIKey is XDETVPHNFOHWHT-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-11(13-7-5-9-18-13)10-15-12-6-3-4-8-14(12)19(2,16)17/h5,7,9,11-12,14-15H,3-4,6,8,10H2,1-2H3/t11-,12-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine?
trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine is sourced from PubChem (CID 129424855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).