N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide

C10H22BrNO2S — CID 103521799

IUPACN-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeySNCYHVICVDRJTH-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds6

About N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide

N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521799) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521799
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(Br)CCNS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C10H22BrNO2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeySNCYHVICVDRJTH-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide (CID 103521799) is N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide is CC(Br)CCNS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is SNCYHVICVDRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-9(11)5-7-12-15(13,14)8-6-10(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide?
N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobutyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).