N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide

C10H21BrN2O2S — CID 114297202

IUPACN-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)CC(CBr)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21BrN2O2S/c1-9(2)7-10(8-11)12-16(14,15)13-5-3-4-6-13/h9-10,12H,3-8H2,1-2H3
InChIKeyOJOURFYVZXRTRN-UHFFFAOYSA-N
MW313.26 g/mol
LogP1.73
Rot. Bonds6

About N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide

N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide (PubChem CID 114297202) has the molecular formula C10H21BrN2O2S and a molecular weight of 313.26 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
PubChem CID114297202
Molecular FormulaC10H21BrN2O2S
Molecular Weight313.26 g/mol
Exact Mass312.05
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide
SMILESCC(C)CC(CBr)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H21BrN2O2S/c1-9(2)7-10(8-11)12-16(14,15)13-5-3-4-6-13/h9-10,12H,3-8H2,1-2H3
InChIKeyOJOURFYVZXRTRN-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
CID 97213735
N-(1-bromo-4-methylpentan-2-yl)-2-methylsulfonylethanesulfonamide
CID 114297331
N-(2-chloro-4-methylpentyl)piperidine-1-sulfonamide
CID 107158249
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
5-bromo-N-(1-bromo-4-methylpentan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468442
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
N-(2-methylpropoxy)pyrrolidine-1-sulfonamide
CID 82715800

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide (CID 114297202) is N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide is CC(C)CC(CBr)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide?
The InChIKey is OJOURFYVZXRTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O2S/c1-9(2)7-10(8-11)12-16(14,15)13-5-3-4-6-13/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide?
N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide has a molecular weight of 313.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114297202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).