N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine

C10H20BrNO2S — CID 102860240

IUPACN-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine
SMILESCS(=O)(=O)CCN(CCCBr)C1CCC1
InChIInChI=1S/C10H20BrNO2S/c1-15(13,14)9-8-12(7-3-6-11)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeySVHLBLPDLKSSJX-UHFFFAOYSA-N
MW298.25 g/mol
LogP1.67
Rot. Bonds7

About N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine

N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine (PubChem CID 102860240) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine
PubChem CID102860240
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine
SMILESCS(=O)(=O)CCN(CCCBr)C1CCC1
InChIInChI=1S/C10H20BrNO2S/c1-15(13,14)9-8-12(7-3-6-11)10-4-2-5-10/h10H,2-9H2,1H3
InChIKeySVHLBLPDLKSSJX-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylsulfonylethyl)cyclobutanamine
CID 175966696
N-(3-bromopropyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 61286310
N-(4-bromobutyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 61286314
N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine
CID 71911969
3-bromo-N,2,2-trimethyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 79849581
2-(bromomethyl)-N-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 79849949
3-bromo-N,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 79849950
3-bromo-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 79850042
5-bromo-N-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 79850582
4-bromo-N-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 79850676
N-(2-bromoethyl)-3-ethylsulfonyl-N-propan-2-ylpropan-1-amine
CID 80667975
N-(2-bromoethyl)-N-(3-methylsulfonylpropyl)cyclopropanamine
CID 80669240

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine (CID 102860240) is N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine is CS(=O)(=O)CCN(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine?
The InChIKey is SVHLBLPDLKSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-15(13,14)9-8-12(7-3-6-11)10-4-2-5-10/h10H,2-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine?
N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine has a molecular weight of 298.25 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(2-methylsulfonylethyl)cyclobutanamine is sourced from PubChem (CID 102860240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).