N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide

C14H21BrN2O4S — CID 124686386

IUPACN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1OC
InChIInChI=1S/C14H21BrN2O4S/c1-20-12-6-10(15)14(7-13(12)21-2)22(18,19)17-11-5-3-4-9(11)8-16/h6-7,9,11,17H,3-5,8,16H2,1-2H3/t9-,11-/m1/s1
InChIKeyDTNXDHQHPAIZNS-MWLCHTKSSA-N
MW393.30 g/mol
LogP1.87
Rot. Bonds6

About N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide (PubChem CID 124686386) has the molecular formula C14H21BrN2O4S and a molecular weight of 393.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
PubChem CID124686386
Molecular FormulaC14H21BrN2O4S
Molecular Weight393.30 g/mol
Exact Mass392.04
IUPAC NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1OC
InChIInChI=1S/C14H21BrN2O4S/c1-20-12-6-10(15)14(7-13(12)21-2)22(18,19)17-11-5-3-4-9(11)8-16/h6-7,9,11,17H,3-5,8,16H2,1-2H3/t9-,11-/m1/s1
InChIKeyDTNXDHQHPAIZNS-MWLCHTKSSA-N
XLogP1.87
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839
trans-(1R,2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 96514771
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113
2-bromo-N-(2,3-dimethylcyclohexyl)-4,5-dimethoxybenzenesulfonamide
CID 55387058
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
CID 120711075
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide (CID 124686386) is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)cc1OC.
What is the InChIKey of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide?
The InChIKey is DTNXDHQHPAIZNS-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H21BrN2O4S/c1-20-12-6-10(15)14(7-13(12)21-2)22(18,19)17-11-5-3-4-9(11)8-16/h6-7,9,11,17H,3-5,8,16H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide?
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 124686386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).