N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide

C13H28N2O2S — CID 58821376

IUPACN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)14-13(10-15(3)18(4,16)17)12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyVKFZJEBKWFPOED-CYBMUJFWSA-N
MW276.45 g/mol
LogP1.82
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide

N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide (PubChem CID 58821376) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide
PubChem CID58821376
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)14-13(10-15(3)18(4,16)17)12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyVKFZJEBKWFPOED-CYBMUJFWSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide (CID 58821376) is N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide is CC(C)N[C@H](CN(C)S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide?
The InChIKey is VKFZJEBKWFPOED-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)14-13(10-15(3)18(4,16)17)12-8-6-5-7-9-12/h11-14H,5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide?
N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-(propan-2-ylamino)ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 58821376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).