1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide

C11H26N2O2S — CID 83141468

IUPAC1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-10(7-12)16(14,15)13-8-9(2)11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyPTGKUCFSWPABDN-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.33
Rot. Bonds6

About 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide

1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide (PubChem CID 83141468) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide
PubChem CID83141468
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-10(7-12)16(14,15)13-8-9(2)11(3,4)5/h9-10,13H,6-8,12H2,1-5H3
InChIKeyPTGKUCFSWPABDN-UHFFFAOYSA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide (CID 83141468) is 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide?
The InChIKey is PTGKUCFSWPABDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-10(7-12)16(14,15)13-8-9(2)11(3,4)5/h9-10,13H,6-8,12H2,1-5H3.
What are the key properties of 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide?
1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,3,3-trimethylbutyl)butane-2-sulfonamide is sourced from PubChem (CID 83141468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).