N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide

C13H28N2O2S — CID 58821461

IUPACN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-10(2)14-12(13(3,4)5)9-15(6)18(16,17)11-7-8-11/h10-12,14H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyLHTJPICNGZZINZ-GFCCVEGCSA-N
MW276.45 g/mol
LogP1.82
Rot. Bonds6

About N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide (PubChem CID 58821461) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide
PubChem CID58821461
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C13H28N2O2S/c1-10(2)14-12(13(3,4)5)9-15(6)18(16,17)11-7-8-11/h10-12,14H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyLHTJPICNGZZINZ-GFCCVEGCSA-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

Analyze N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide 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 N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide (CID 58821461) is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide?
The InChIKey is LHTJPICNGZZINZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-10(2)14-12(13(3,4)5)9-15(6)18(16,17)11-7-8-11/h10-12,14H,7-9H2,1-6H3/t12-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide?
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide 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)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 58821461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).