4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide

C11H27N3O2S — CID 54952450

IUPAC4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CCCCN
InChIInChI=1S/C11H27N3O2S/c1-11(2,10-14(3)4)9-13-17(15,16)8-6-5-7-12/h13H,5-10,12H2,1-4H3
InChIKeyAXQIPBWNQJKUCG-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.23
Rot. Bonds9

About 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide

4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide (PubChem CID 54952450) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
PubChem CID54952450
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)CCCCN
InChIInChI=1S/C11H27N3O2S/c1-11(2,10-14(3)4)9-13-17(15,16)8-6-5-7-12/h13H,5-10,12H2,1-4H3
InChIKeyAXQIPBWNQJKUCG-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide (CID 54952450) is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
The InChIKey is AXQIPBWNQJKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-11(2,10-14(3)4)9-13-17(15,16)8-6-5-7-12/h13H,5-10,12H2,1-4H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide?
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide is sourced from PubChem (CID 54952450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).