1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine

C12H25NO2S — CID 70905570

IUPAC1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine
SMILESC[C@@H](C1(N)CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-10(16(14,15)11(2,3)4)12(13)8-6-5-7-9-12/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChIKeyCKPKJWCVRANLRJ-JTQLQIEISA-N
MW247.40 g/mol
LogP2.25
Rot. Bonds2

About 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine

1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine (PubChem CID 70905570) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine
PubChem CID70905570
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine
SMILESC[C@@H](C1(N)CCCCC1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-10(16(14,15)11(2,3)4)12(13)8-6-5-7-9-12/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChIKeyCKPKJWCVRANLRJ-JTQLQIEISA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine (CID 70905570) is 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine is C[C@@H](C1(N)CCCCC1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine?
The InChIKey is CKPKJWCVRANLRJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NO2S/c1-10(16(14,15)11(2,3)4)12(13)8-6-5-7-9-12/h10H,5-9,13H2,1-4H3/t10-/m0/s1.
What are the key properties of 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine?
1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-tert-butylsulfonylethyl]cyclohexan-1-amine is sourced from PubChem (CID 70905570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).