N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide

C12H26N2O2S — CID 70870752

IUPACN-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)C1CC1)CC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)8-10(13-4)9-14(5)17(15,16)11-6-7-11/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyUFRSLYWNSVBBSP-JTQLQIEISA-N
MW262.42 g/mol
LogP1.43
Rot. Bonds6

About N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide

N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide (PubChem CID 70870752) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide
PubChem CID70870752
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)C1CC1)CC(C)(C)C
InChIInChI=1S/C12H26N2O2S/c1-12(2,3)8-10(13-4)9-14(5)17(15,16)11-6-7-11/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyUFRSLYWNSVBBSP-JTQLQIEISA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide (CID 70870752) is N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide is CN[C@H](CN(C)S(=O)(=O)C1CC1)CC(C)(C)C.
What is the InChIKey of N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide?
The InChIKey is UFRSLYWNSVBBSP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-12(2,3)8-10(13-4)9-14(5)17(15,16)11-6-7-11/h10-11,13H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide?
N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-dimethyl-2-(methylamino)pentyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 70870752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).