N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

C14H20BrNO2S — CID 84598699

IUPACN-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrNO2S/c1-11(9-19(2,17)18)16-10-14(7-8-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyRQZYWLIPXYQQEA-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.50
Rot. Bonds6

About N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine

N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (PubChem CID 84598699) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
PubChem CID84598699
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCC1(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrNO2S/c1-11(9-19(2,17)18)16-10-14(7-8-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyRQZYWLIPXYQQEA-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248
N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
CID 131919389
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 64629588
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-methylsulfonyl-4-nitroaniline
CID 133402303
1-bromo-2-(1-methylsulfonylcyclopropyl)benzene
CID 115050949
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-hydroxyethyl)urea
CID 111458940
1-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(2-ethylsulfonylethyl)-2-methylguanidine;hydroiodide
CID 111650145
2-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120593131
1-bromo-2-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047981
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine (CID 84598699) is N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCC1(c2ccccc2Br)CC1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is RQZYWLIPXYQQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11(9-19(2,17)18)16-10-14(7-8-14)12-5-3-4-6-13(12)15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine?
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 346.29 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 84598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).