N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide

C12H24BrNO2S — CID 106135137

IUPACN-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)6-7-17(15,16)14-9-10-4-5-11(13)8-10/h10-11,14H,4-9H2,1-3H3
InChIKeyVUYUVHGXHJIPQP-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.91
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide

N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 106135137) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID106135137
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NCC1CCC(Br)C1
InChIInChI=1S/C12H24BrNO2S/c1-12(2,3)6-7-17(15,16)14-9-10-4-5-11(13)8-10/h10-11,14H,4-9H2,1-3H3
InChIKeyVUYUVHGXHJIPQP-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.91
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-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide (CID 106135137) is N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is VUYUVHGXHJIPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-12(2,3)6-7-17(15,16)14-9-10-4-5-11(13)8-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 106135137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).