N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide

C10H24N2O2S — CID 58821495

IUPACN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-8(2)10(11-9(3)4)7-12(5)15(6,13)14/h8-11H,7H2,1-6H3/t10-/m1/s1
InChIKeyLFVHWYZYZKQDLI-SNVBAGLBSA-N
MW236.38 g/mol
LogP0.90
Rot. Bonds6

About N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide

N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide (PubChem CID 58821495) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide
PubChem CID58821495
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-8(2)10(11-9(3)4)7-12(5)15(6,13)14/h8-11H,7H2,1-6H3/t10-/m1/s1
InChIKeyLFVHWYZYZKQDLI-SNVBAGLBSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide (CID 58821495) is N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide is CC(C)N[C@H](CN(C)S(C)(=O)=O)C(C)C.
What is the InChIKey of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
The InChIKey is LFVHWYZYZKQDLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-8(2)10(11-9(3)4)7-12(5)15(6,13)14/h8-11H,7H2,1-6H3/t10-/m1/s1.
What are the key properties of N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide?
N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-methyl-2-(propan-2-ylamino)butyl]methanesulfonamide is sourced from PubChem (CID 58821495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).