N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide

C10H22BrNO3S — CID 103521791

IUPACN-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCOCCBr
InChIInChI=1S/C10H22BrNO3S/c1-10(2,3)4-9-16(13,14)12-6-8-15-7-5-11/h12H,4-9H2,1-3H3
InChIKeyPZZFYNVSYWRHAH-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.75
Rot. Bonds8

About N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide

N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521791) has the molecular formula C10H22BrNO3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521791
Molecular FormulaC10H22BrNO3S
Molecular Weight316.26 g/mol
Exact Mass315.05
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCCOCCBr
InChIInChI=1S/C10H22BrNO3S/c1-10(2,3)4-9-16(13,14)12-6-8-15-7-5-11/h12H,4-9H2,1-3H3
InChIKeyPZZFYNVSYWRHAH-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-3,3-dimethylbutane-1-sulfonamide
CID 114171594
N-(3-aminopropyl)-3,3-dimethylbutane-1-sulfonamide
CID 103828845
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
2-(3,3-dimethylbutylsulfonylamino)acetamide
CID 103521045
3,3-dimethyl-N-pent-4-ynylbutane-1-sulfonamide
CID 103698152
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
N-(1-bromo-2-methylpropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521803
N-(3-hydroxypentyl)-3,3-dimethylbutane-1-sulfonamide
CID 71848189
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
5-(tert-butylamino)-N-[2-(2-propoxyethoxy)ethyl]pentane-1-sulfonamide
CID 163499248

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521791) is N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCCOCCBr.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is PZZFYNVSYWRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3S/c1-10(2,3)4-9-16(13,14)12-6-8-15-7-5-11/h12H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide?
N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 316.26 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).