N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide

C9H20BrNO2S — CID 103521783

IUPACN-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CBr)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C9H20BrNO2S/c1-8(7-10)11-14(12,13)6-5-9(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyRXFNDCJHTRPWFE-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.13
Rot. Bonds5

About N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide

N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521783) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521783
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(CBr)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C9H20BrNO2S/c1-8(7-10)11-14(12,13)6-5-9(2,3)4/h8,11H,5-7H2,1-4H3
InChIKeyRXFNDCJHTRPWFE-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.13
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-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103521783) is N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide is CC(CBr)NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is RXFNDCJHTRPWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-8(7-10)11-14(12,13)6-5-9(2,3)4/h8,11H,5-7H2,1-4H3.
What are the key properties of N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 286.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).