1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide

C13H28N2O3S2 — CID 58947957

IUPAC1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC1(N[S@@](=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C13H28N2O3S2/c1-12(2,3)19(16)14-13(9-7-6-8-10-13)11-20(17,18)15(4)5/h14H,6-11H2,1-5H3/t19-/m0/s1
InChIKeyRGUWWQCLTIJAIW-IBGZPJMESA-N
MW324.51 g/mol
LogP1.63
Rot. Bonds5

About 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide

1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide (PubChem CID 58947957) has the molecular formula C13H28N2O3S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide
PubChem CID58947957
Molecular FormulaC13H28N2O3S2
Molecular Weight324.51 g/mol
Exact Mass324.15
IUPAC Name1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)CC1(N[S@@](=O)C(C)(C)C)CCCCC1
InChIInChI=1S/C13H28N2O3S2/c1-12(2,3)19(16)14-13(9-7-6-8-10-13)11-20(17,18)15(4)5/h14H,6-11H2,1-5H3/t19-/m0/s1
InChIKeyRGUWWQCLTIJAIW-IBGZPJMESA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide (CID 58947957) is 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)CC1(N[S@@](=O)C(C)(C)C)CCCCC1.
What is the InChIKey of 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide?
The InChIKey is RGUWWQCLTIJAIW-IBGZPJMESA-N. The full InChI is InChI=1S/C13H28N2O3S2/c1-12(2,3)19(16)14-13(9-7-6-8-10-13)11-20(17,18)15(4)5/h14H,6-11H2,1-5H3/t19-/m0/s1.
What are the key properties of 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide?
1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide has a molecular weight of 324.51 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 58947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).