N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine

C11H22BrNO2S — CID 102860067

IUPACN-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
SMILESCS(=O)(=O)CCCN(CCCBr)C1CCC1
InChIInChI=1S/C11H22BrNO2S/c1-16(14,15)10-4-9-13(8-3-7-12)11-5-2-6-11/h11H,2-10H2,1H3
InChIKeyYOXXOSSSMTVFDC-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.06
Rot. Bonds8

About N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine

N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine (PubChem CID 102860067) has the molecular formula C11H22BrNO2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
PubChem CID102860067
Molecular FormulaC11H22BrNO2S
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine
SMILESCS(=O)(=O)CCCN(CCCBr)C1CCC1
InChIInChI=1S/C11H22BrNO2S/c1-16(14,15)10-4-9-13(8-3-7-12)11-5-2-6-11/h11H,2-10H2,1H3
InChIKeyYOXXOSSSMTVFDC-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.06
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
2-(3-bromopropylsulfonyl)-N,N-diethylethanamine
CID 458568
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-(5-bromopentyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 64202965
N-propan-2-yl-N-(2-propylsulfonylethyl)cyclobutanamine
CID 71911969
5-bromo-N-methyl-N-(2-methylsulfonylethyl)pentan-1-amine
CID 79850582
4-bromo-N-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 79850676
2-bromo-N-methyl-N-(3-methylsulfonylpropyl)propan-1-amine
CID 80667788
N-(2-bromoethyl)-3-ethylsulfonyl-N-propan-2-ylpropan-1-amine
CID 80667975
N-(2-bromoethyl)-N-(3-methylsulfonylpropyl)cyclopropanamine
CID 80669240
2-(Bromomethyl)-1-(3-methylsulfonylpropyl)pyrrolidine
CID 80669560

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine (CID 102860067) is N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine is CS(=O)(=O)CCCN(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine?
The InChIKey is YOXXOSSSMTVFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO2S/c1-16(14,15)10-4-9-13(8-3-7-12)11-5-2-6-11/h11H,2-10H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine?
N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine has a molecular weight of 312.27 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-(3-methylsulfonylpropyl)cyclobutanamine is sourced from PubChem (CID 102860067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).