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

C13H30N2O2S — CID 58821578

IUPACN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2O2S/c1-10(2)14-12(13(5,6)7)9-15(8)18(16,17)11(3)4/h10-12,14H,9H2,1-8H3/t12-/m1/s1
InChIKeyLYSKPZFKHJXQNL-GFCCVEGCSA-N
MW278.46 g/mol
LogP2.07
Rot. Bonds6

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

N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide (PubChem CID 58821578) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide
PubChem CID58821578
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2O2S/c1-10(2)14-12(13(5,6)7)9-15(8)18(16,17)11(3)4/h10-12,14H,9H2,1-8H3/t12-/m1/s1
InChIKeyLYSKPZFKHJXQNL-GFCCVEGCSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide (CID 58821578) is N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide is CC(C)N[C@H](CN(C)S(=O)(=O)C(C)C)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide?
The InChIKey is LYSKPZFKHJXQNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-10(2)14-12(13(5,6)7)9-15(8)18(16,17)11(3)4/h10-12,14H,9H2,1-8H3/t12-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide?
N-[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]-N-methylpropane-2-sulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.07, 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-methylpropane-2-sulfonamide is sourced from PubChem (CID 58821578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).