N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide

C10H19BrN2O2S — CID 102873540

IUPACN-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C10H19BrN2O2S/c11-6-9-13(10-4-3-5-10)16(14,15)12-7-1-2-8-12/h10H,1-9H2
InChIKeyOTAJOYMKLCIHSQ-UHFFFAOYSA-N
MW311.25 g/mol
LogP1.58
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide

N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide (PubChem CID 102873540) has the molecular formula C10H19BrN2O2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
PubChem CID102873540
Molecular FormulaC10H19BrN2O2S
Molecular Weight311.25 g/mol
Exact Mass310.04
IUPAC NameN-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(N1CCCC1)N(CCBr)C1CCC1
InChIInChI=1S/C10H19BrN2O2S/c11-6-9-13(10-4-3-5-10)16(14,15)12-7-1-2-8-12/h10H,1-9H2
InChIKeyOTAJOYMKLCIHSQ-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-4-methylpiperidine-1-sulfonamide
CID 80669420
N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
CID 63396430
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
CID 102873505
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
N-(2-bromoethyl)-N-cyclobutylmethanesulfonamide
CID 102873497
2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
2-[cyclopentyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044834
N-(2-aminoethyl)-N-cyclobutylmorpholine-4-sulfonamide
CID 102874411

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide (CID 102873540) is N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide is O=S(=O)(N1CCCC1)N(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide?
The InChIKey is OTAJOYMKLCIHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2S/c11-6-9-13(10-4-3-5-10)16(14,15)12-7-1-2-8-12/h10H,1-9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide?
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide has a molecular weight of 311.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102873540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).