N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide

C12H28N2O2S — CID 106141530

IUPACN-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)7-9-17(15,16)14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3
InChIKeyUHAKIPKNYCVNLV-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.72
Rot. Bonds7

About N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide

N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 106141530) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID106141530
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(C)CCN
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)7-9-17(15,16)14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3
InChIKeyUHAKIPKNYCVNLV-UHFFFAOYSA-N
XLogP1.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-(2-ethyl-2-hydroxybutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103684499
N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
N-(2,2-dimethylbutyl)propane-1-sulfonamide
CID 103465142
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
N-(3-amino-2,2-dimethylpropyl)-3-methoxypropane-1-sulfonamide
CID 115365924
N-(2-amino-3-methylbutyl)-3,3-dimethylbutane-1-sulfonamide
CID 103829022
N-(2-amino-3-ethylpentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106286721

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide (CID 106141530) is N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC(C)(C)CCN.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is UHAKIPKNYCVNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-11(2,3)7-9-17(15,16)14-10-12(4,5)6-8-13/h14H,6-10,13H2,1-5H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 264.43 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 106141530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).