N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide

C11H26N2O2S — CID 56795208

IUPACN-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCNC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)6-9-16(14,15)13-8-7-12-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyDQJAKRNEWFUYFR-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.34
Rot. Bonds7

About N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide

N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide (PubChem CID 56795208) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
PubChem CID56795208
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NCCNC(C)(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)6-9-16(14,15)13-8-7-12-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyDQJAKRNEWFUYFR-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide 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-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide (CID 56795208) is N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NCCNC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide?
The InChIKey is DQJAKRNEWFUYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)6-9-16(14,15)13-8-7-12-11(3,4)5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide?
N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 56795208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).